6,7-Dimethoxy-5-methyl-2-(methyl(3-nitrobenzyl)amino)quinazolin-4(3H)-one

HCID 136257595

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Basic information

CAS: 894788-72-8
Standard SMILES: COc1cc2nc(N(C)Cc3cccc([N+](=O)[O-])c3)[nH]c(=O)c2c(C)c1OC
InChIKey: OKYVXBHMAZOSNA-UHFFFAOYSA-N
Molecular formula: C19H20N4O5
Average molar mass: 384.4 g/mol
Monoisotopic mass: 384.14336975

Names & identifiers

Preferred name: 6,7-Dimethoxy-5-methyl-2-(methyl(3-nitrobenzyl)amino)quinazolin-4(3H)-one
IUPAC: 6,7-dimethoxy-5-methyl-2-[methyl-[(3-nitrophenyl)methyl]amino]-3H-quinazolin-4-one

Names & synonyms

894788-72-86,7-Dimethoxy-5-methyl-2-(methyl(3-nitrobenzyl)amino)quinazolin-4(3H)-one6,7-dimethoxy-5-methyl-2-{methyl[(3-nitrophenyl)methyl]amino}-3,4-dihydroquinazolin-4-oneDTXSID307232106,7-Dimethoxy-5-methyl-2-{methyl[(3-nitrophenyl)methyl]amino}quinazolin-4(1H)-one

Database identifiers

CAS: 894788-72-8
PubChem CID: 136257595
DTXSID: DTXSID30723210

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 109 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 622

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