N-(3-chlorophenyl)quinazolin-4-amine , CAS No.88404-44-8

CAS: 88404-44-8 Cat. No.: N668056 Molecular Weight: 255.7
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Synonyms
N-(3-chlorophenyl)quinazolin-4-amine | 4-(3-Chloroanilino)quinazoline | N-(3-Chlorophenyl)-4-quinazolinamine | 4-CAQ | Oprea1_681561 | Oprea1_688366 | BDBM3263 | DTXSID50237026 | 4-Anilino quinazoline deriv. 14 | STL330854 | AKOS001614894 | (3-chloropheny
Storage
Room temperature
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Size
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Price
Qty
1mg
N668056-1mg
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$571.90

$999.90
Save $428.00 (42.80%)
5mg
N668056-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
N-(3-chlorophenyl)quinazolin-4-amine | 4-(3-Chloroanilino)quinazoline | N-(3-Chlorophenyl)-4-quinazolinamine | 4-CAQ | Oprea1_681561 | Oprea1_688366 | BDBM3263 | DTXSID50237026 | 4-Anilino quinazoline deriv. 14 | STL330854 | AKOS001614894 | (3-chloropheny
Storage
Room temperature
Product Properties
ALogP4.6
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl
IUPAC NameN-(3-chlorophenyl)quinazolin-4-amine
InChIKeyZKKVUIPXPPDIRD-UHFFFAOYSA-N
INCHI1S/C14H10ClN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
Isomeric SMILES C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl
Molecular Weight 255.7
Reaxy-Rn 7374946
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7374946&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Quinazolines
Direct ParentQuinazolinamines
Alternative Parents Aniline and substituted anilines  Chlorobenzenes  Aminopyrimidines and derivatives  Imidolactams  Aryl chlorides  Heteroaromatic compounds  Secondary amines  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinazolinamine - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
EGFR Tclin Epidermal growth factor receptor (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FADS1 Tchem Acyl-CoA (8-3)-desaturase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1975 (4994 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fads1 Fatty acid desaturase 1 (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight255.700 g/mol
XLogP34.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass255.056 Da
Monoisotopic Mass255.056 Da
Topological Polar Surface Area37.800 Ų
Heavy Atom Count18
Formal Charge0
Complexity274.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
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