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Isoquinolines and derivatives

Description:

Aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Isoquinolines and derivatives

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  1. N-Methylcoclaurine
    N-Methylcoclaurine
    CAS: 1472-62-4 Formula: C18H21NO3 Molecular Weight: 299.4
    ≥98%
    Out of Stock Item #: N1315510
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    Technical Identifiers
    IUPAC Name
    1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
    SMILES
    CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC
    InChIKey
    BOKVLBSSPUTWLV-UHFFFAOYSA-N
    InChI
    1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3
  2. Dbibb
    Dbibb
    CAS: 1569309-92-7 PubChem CID: 73296092 Formula: C23H20N2O6S Molecular Weight: 452.48
    ≥99%
    Out of Stock Item #: D980629
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    Technical Identifiers
    IUPAC Name
    2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid
    SMILES
    C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
    InChIKey
    POLJNARIJSROOS-UHFFFAOYSA-N
    InChI
    1S/C23H20N2O6S/c26-21-17-10-5-7-15-8-6-11-18(20(15)17)22(27)25(21)14-4-3-13-24-32(30,31)19-12-2-1-9-16(19)23(28)29/h1-2,5-12,24H,3-4,13-14H2,(H,28,29)
  3. 6-(1,3-Dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)hexanoic acid
    6-(1,3-Dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)hexanoic acid
    CAS: 181373-35-3 PubChem CID: 2871916 Formula: C23H26N2O4 Molecular Weight: 394.46
    Out of Stock Item #: D1023599
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    Technical Identifiers
    IUPAC Name
    6-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)hexanoic acid
    SMILES
    C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCCCC(=O)O
    InChIKey
    MBIOYMJZOCQPAE-UHFFFAOYSA-N
    InChI
    1S/C23H26N2O4/c26-20(27)10-3-1-6-15-25-22(28)17-9-7-8-16-19(24-13-4-2-5-14-24)12-11-18(21(16)17)23(25)29/h7-9,11-12H,1-6,10,13-15H2,(H,26,27)
  4. 4'-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-[1,1'-biphenyl]-4-ol
    4'-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-[1,1'-biphenyl]-4-ol
    CAS: 1031367-64-2 PubChem CID: 25113688
    ≥99%
    Out of Stock Item #: D1277670
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    Technical Identifiers
    IUPAC Name
    4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenol
    SMILES
    COC1=C(C=C2CN(CCC2=C1)CC3=CC=C(C=C3)C4=CC=C(C=C4)O)OC
    InChIKey
    ATYXTVKHMLAWBZ-UHFFFAOYSA-N
    InChI
    1S/C24H25NO3/c1-27-23-13-20-11-12-25(16-21(20)14-24(23)28-2)15-17-3-5-18(6-4-17)19-7-9-22(26)10-8-19/h3-10,13-14,26H,11-12,15-16H2,1-2H3
  5. (R,R)-Palonosetron Hydrochloride
    (R,R)-Palonosetron Hydrochloride
    CAS: 135729-75-8 PubChem CID: 18651160
    ≥99%
    Out of Stock Item #: R1304055
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    Technical Identifiers
    IUPAC Name
    (3aR)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride
    SMILES
    C1CC2CN(C(=O)C3=CC=CC(=C23)C1)C4CN5CCC4CC5.Cl
    InChIKey
    OLDRWYVIKMSFFB-NBLXOJGSSA-N
    InChI
    1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/m0./s1
  6. Thalifoline
    Thalifoline
    CAS: 21796-15-6 Formula: C11H13NO3 Molecular Weight: 207.23
    ≥99%
    Out of Stock Item #: T1355112
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    Technical Identifiers
    IUPAC Name
    7-hydroxy-6-methoxy-2-methyl-3,4-dihydroisoquinolin-1-one
    SMILES
    CN1CCC2=CC(=C(C=C2C1=O)O)OC
    InChIKey
    WPKMGEQXTYQXGI-UHFFFAOYSA-N
    InChI
    1S/C11H13NO3/c1-12-4-3-7-5-10(15-2)9(13)6-8(7)11(12)14/h5-6,13H,3-4H2,1-2H3
  7. Pinokalant
    Pinokalant
    CAS: 149759-26-2 Formula: C41H48N2O9 Molecular Weight: 712.8
    ≥99%
    Out of Stock Item #: P1362903
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    Technical Identifiers
    IUPAC Name
    2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-N,N-bis[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
    SMILES
    COC1=C(C(=C(C=C1)CCN(CCC2=C(C(=C(C=C2)OC)OC)OC)C(=O)C(C3=CC=CC=C3)C4=NCCC5=CC(=C(C=C54)OC)OC)OC)OC
    InChIKey
    PYWYBTRACMRUQV-UHFFFAOYSA-N
    InChI
    1S/C41H48N2O9/c1-45-31-16-14-27(37(49-5)39(31)51-7)19-22-43(23-20-28-15-17-32(46-2)40(52-8)38(28)50-6)41(44)35(26-12-10-9-11-13-26)36-30-25-34(48-4)33show more
  8. Elinafide
    Elinafide
    CAS: 162706-37-8 Formula: C31H28N4O4 Molecular Weight: 520.600
    ≥98%
    Out of Stock Item #: E1058241
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    Technical Identifiers
    IUPAC Name
    2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione
    SMILES
    C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCNCCCNCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
    InChIKey
    QUNOQBDEVTWCTA-UHFFFAOYSA-N
    InChI
    1S/C31H28N4O4/c36-28-22-10-1-6-20-7-2-11-23(26(20)22)29(37)34(28)18-16-32-14-5-15-33-17-19-35-30(38)24-12-3-8-21-9-4-13-25(27(21)24)31(35)39/h1-4,6-13show more
  9. Atracurium oxalate
    Atracurium oxalate
    CAS: 64228-78-0 PubChem CID: 6454828 Formula: C55H70N2O20 Molecular Weight: 1079.1
    Powder ≥98%
    Out of Stock Item #: A770595
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    Technical Identifiers
    IUPAC Name
    5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoshow more
    SMILES
    COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
    InChIKey
    NGJVDNJEQWIMBU-UHFFFAOYSA-N
    InChI
    1S/C51H66N2O12.2C2H2O4/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53show more
  10. 2-(2-Aminoethyl)-6-(Dimethylamino)-1H-Benz[De]Isoquinoline-1，3(2H)-Dione
    2-(2-Aminoethyl)-6-(Dimethylamino)-1H-Benz[De]Isoquinoline-1，3(2H)-Dione
    CAS: 1051373-06-8 PubChem CID: 71727552 Formula: C16H17N3O2 Molecular Weight: 283.32
    ≥99%
    Out of Stock Item #: H771056
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    Technical Identifiers
    IUPAC Name
    2-(2-aminoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione
    SMILES
    CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCN
    InChIKey
    IQKFJZKSENZCLN-UHFFFAOYSA-N
    InChI
    1S/C16H17N3O2/c1-18(2)13-7-6-12-14-10(13)4-3-5-11(14)15(20)19(9-8-17)16(12)21/h3-7H,8-9,17H2,1-2H3
  11. 2-(2-Aminoethyl)-6-(Dimethylamino)-1H-Benz[De]Isoquinoline-1，3(2H)-Dione
    2-(2-Aminoethyl)-6-(Dimethylamino)-1H-Benz[De]Isoquinoline-1，3(2H)-Dione
    CAS: 1051373-06-8 PubChem CID: 71727552 Formula: C16H17N3O2 Molecular Weight: 283.32
    ≥97%
    Out of Stock Item #: H770961
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    Pricing & Pack Sizes
    Technical Identifiers
    IUPAC Name
    2-(2-aminoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione
    SMILES
    CN(C)C1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCN
    InChIKey
    IQKFJZKSENZCLN-UHFFFAOYSA-N
    InChI
    1S/C16H17N3O2/c1-18(2)13-7-6-12-14-10(13)4-3-5-11(14)15(20)19(9-8-17)16(12)21/h3-7H,8-9,17H2,1-2H3
  12. 1-chloroisoquinoline-4-carboxylic acid
    1-chloroisoquinoline-4-carboxylic acid
    CAS: 1260794-26-0 Formula: C10H6ClNO2 Molecular Weight: 207.6131
    ≥95%
    Out of Stock Item #: C769405
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    Pricing & Pack Sizes
    Technical Identifiers
    SMILES
    C1=CC=C2C(=C1)C(=CN=C2Cl)C(=O)O
    InChIKey
    VAPWFBQHRVYUDV-UHFFFAOYSA-N
    InChI
    1S/C10H6ClNO2/c11-9-7-4-2-1-3-6(7)8(5-12-9)10(13)14/h1-5H,(H,13,14)
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