3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one

C24H18N2O3 — CID 92929852

IUPAC3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
SMILESCOc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C24H18N2O3/c1-29-18-13-11-16(12-14-18)15-19(23(27)17-7-3-2-4-8-17)22-24(28)26-21-10-6-5-9-20(21)25-22/h2-15H,1H3,(H,26,28)/b19-15-
InChIKeyDCABMAYQMCFQJB-CYVLTUHYSA-N
MW382.42 g/mol
LogP4.36
Rot. Bonds5

About 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one

3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one (PubChem CID 92929852) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
PubChem CID92929852
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
SMILESCOc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C24H18N2O3/c1-29-18-13-11-16(12-14-18)15-19(23(27)17-7-3-2-4-8-17)22-24(28)26-21-10-6-5-9-20(21)25-22/h2-15H,1H3,(H,26,28)/b19-15-
InChIKeyDCABMAYQMCFQJB-CYVLTUHYSA-N
XLogP4.36
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 135874837
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
methyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]benzoate
CID 4177278
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481653
3-[(E)-N-anilino-C-(4-methoxybenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135423303
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
2-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 2873903
3-[(Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
CID 6270719
(Z)-3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)-2-phenylprop-2-en-1-one
CID 46934100
7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 77230400
3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one
CID 142897064
ethyl (E)-3-[4-(diethylamino)-2-methoxyphenyl]-2-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoate
CID 101001380

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one (CID 92929852) is 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one is COc1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one?
The InChIKey is DCABMAYQMCFQJB-CYVLTUHYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-29-18-13-11-16(12-14-18)15-19(23(27)17-7-3-2-4-8-17)22-24(28)26-21-10-6-5-9-20(21)25-22/h2-15H,1H3,(H,26,28)/b19-15-.
What are the key properties of 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one?
3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one has a molecular weight of 382.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one is sourced from PubChem (CID 92929852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).