Zinc04369860

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Basic information

CAS: 5903-61-7
Standard SMILES: Cn1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O
InChIKey: PIIGTOZMWMCWKU-DHZHZOJOSA-N
Molecular formula: C17H13N3O3
Average molar mass: 307.3 g/mol
Monoisotopic mass: 307.09569129

Names & identifiers

Preferred name: Zinc04369860
IUPAC: 3-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one

Names & synonyms

ZINC043698605903-61-7DTXSID20417217RefChem:388709DTXCID503680663-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-oneCambridge id 5903617PIIGTOZMWMCWKU-DHZHZOJOSA-N3-methyl-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4(3H)-oneSMSF0009454STK721990AKOS000510368

Show more names

CB0667556478-65-0BIM-0013750.P001ST4097013(E)-3-methyl-2-(4-nitrostyryl)quinazolin-4(3H)-one3-methyl-2-[2-(4-nitrophenyl)vinyl]-4(3H)-quinazolinone3-methyl-2-[(1E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-one3-methyl-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4(3H)-one

Database identifiers

CAS: 5903-61-7
PubChem CID: 5344584
DTXSID: DTXSID20417217

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 78.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 530

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Compound notes

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