for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCN3C(=O)C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC(=CC=C5)Cl |
|---|---|
| IUPAC Name | N-(1,3-benzodioxol-5-ylmethyl)-4-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide |
| InChIKey | AVCWUERYLDROHZ-UHFFFAOYSA-N |
| INCHI | 1S/C28H25ClN4O6/c29-19-5-3-6-20(14-19)31-26(35)16-33-22-8-2-1-7-21(22)27(36)32(28(33)37)12-4-9-25(34)30-15-18-10-11-23-24(13-18)39-17-38-23/h1-3,5-8,10-11,13-14H,4,9,12,15-17H2,(H,30,34)(H,31,35) |
| Molecular Weight | 549 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | Anilides Benzodioxoles N-arylamides Pyrimidones Chlorobenzenes Aryl chlorides N-acyl amines Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Acetals Oxacyclic compounds Azacyclic compounds Organochlorides Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Benzodioxole - Anilide - N-arylamide - Chlorobenzene - Halobenzene - Pyrimidone - Aryl halide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Pyrimidine - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Urea - Lactam - Secondary carboxylic acid amide - Oxacycle - Azacycle - Acetal - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 549.000 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 548.146 Da |
| Monoisotopic Mass | 548.146 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 920.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![N-[(1,3-dioxaindan-5-yl)methyl]-4-(1-{[(3-chlorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide - CAS No(899937-47-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/1/N1240355.jpg)