3-(4-(((2-Hydroxy-3-nitrophenyl)methylene)amino)phenyl)-2-methyl-4(3H)-quinazolinone

HCID 63458

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Basic information

CAS: 36934-38-0
Standard SMILES: Cc1nc2ccccc2c(=O)n1-c1ccc(N=Cc2cccc([N+](=O)[O-])c2O)cc1
InChIKey: YEZIBEWAUYSBJA-UHFFFAOYSA-N
Molecular formula: C22H16N4O4
Average molar mass: 400.4 g/mol
Monoisotopic mass: 400.117155

Names & identifiers

Preferred name: 3-(4-(((2-Hydroxy-3-nitrophenyl)methylene)amino)phenyl)-2-methyl-4(3H)-quinazolinone
IUPAC: 3-[4-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenyl]-2-methylquinazolin-4-one

Names & synonyms

BRN 08580863-(4-(((2-Hydroxy-3-nitrophenyl)methylene)amino)phenyl)-2-methyl-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-(4-(((2-hydroxy-3-nitrophenyl)methylene)amino)phenyl)-2-methyl-36934-38-0

Database identifiers

CAS: 36934-38-0
PubChem CID: 63458

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 111 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 30
Formal charge: 0
Complexity: 710

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