Qsar: S7774, N1

HCID 11660897

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Basic information

Standard SMILES: CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC
InChIKey: VXCUTOVXETTYDM-UHFFFAOYSA-N
Molecular formula: C18H18ClN3O2
Average molar mass: 343.8 g/mol
Monoisotopic mass: 343.1087545

Names & identifiers

Preferred name: Qsar: S7774, N1
IUPAC: N-(3-chlorophenyl)-6,7-diethoxyquinazolin-4-amine

Names & synonyms

DTXSID20878283QSAR: S7774, N1RefChem:378334DTXCID701016338NOCAS_878283CHEMBL64950N-(3-chlorophenyl)-6,7-diethoxyquinazolin-4-amineSCHEMBL5606140BDBM50095261(3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-amine4-(3''-chloroanilino)-6,7-diethoxyquinazoline hydrochloride

Database identifiers

PubChem CID: 11660897
DTXSID: DTXSID20878283
ChEMBL: CHEMBL64950
Nikkaji: J1.465.165I

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 56.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 387

Experimental & physicochemical properties

LogP4.31

Related reactions

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Compound notes

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