3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one

C23H17N3O4 — CID 2880252

IUPAC3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
SMILESCOc1ccccc1-n1c(C=Cc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O
InChIInChI=1S/C23H17N3O4/c1-30-21-13-7-6-12-20(21)25-22(24-18-10-4-3-9-17(18)23(25)27)15-14-16-8-2-5-11-19(16)26(28)29/h2-15H,1H3
InChIKeyZZPBFUMULMNIMG-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.47
Rot. Bonds5

About 3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one

3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one (PubChem CID 2880252) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
PubChem CID2880252
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
SMILESCOc1ccccc1-n1c(C=Cc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O
InChIInChI=1S/C23H17N3O4/c1-30-21-13-7-6-12-20(21)25-22(24-18-10-4-3-9-17(18)23(25)27)15-14-16-8-2-5-11-19(16)26(28)29/h2-15H,1H3
InChIKeyZZPBFUMULMNIMG-UHFFFAOYSA-N
XLogP4.47
TPSA87.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyphenyl)-2-[(Z)-2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 5345957
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
3-(4-methylphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 2870120
3-(2-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
CID 6614301
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 92912522
3-(2-methoxyphenyl)-2-(2-nitrophenyl)sulfanylquinazolin-4-one
CID 7963162
6-bromo-3-(2-methoxyphenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 2981193
2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 135584614
3-[2-methoxy-4-[(4-nitrophenyl)diazenyl]phenyl]-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 15217170
2-[2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
CID 2876177
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 20966993

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one (CID 2880252) is 3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one is COc1ccccc1-n1c(C=Cc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one?
The InChIKey is ZZPBFUMULMNIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c1-30-21-13-7-6-12-20(21)25-22(24-18-10-4-3-9-17(18)23(25)27)15-14-16-8-2-5-11-19(16)26(28)29/h2-15H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one?
3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one has a molecular weight of 399.41 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 2880252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).