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

C23H16N2O3 — CID 135874837

IUPAC3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
SMILESO=C(/C(=C\c1ccc(O)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-17-12-10-15(11-13-17)14-18(22(27)16-6-2-1-3-7-16)21-23(28)25-20-9-5-4-8-19(20)24-21/h1-14,26H,(H,25,28)/b18-14-
InChIKeyIQUWPYXNOUJIPV-JXAWBTAJSA-N
MW368.39 g/mol
LogP4.05
Rot. Bonds4

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

3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one (PubChem CID 135874837) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
PubChem CID135874837
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
SMILESO=C(/C(=C\c1ccc(O)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-17-12-10-15(11-13-17)14-18(22(27)16-6-2-1-3-7-16)21-23(28)25-20-9-5-4-8-19(20)24-21/h1-14,26H,(H,25,28)/b18-14-
InChIKeyIQUWPYXNOUJIPV-JXAWBTAJSA-N
XLogP4.05
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(Z)-1-(4-hydroxyphenyl)-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-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 92929852
(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 5378867
methyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]benzoate
CID 4177278
3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one
CID 142897064
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
CID 2861223
(E)-3-(4-fluorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5388476
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
3-[(E)-C-benzoyl-N-(3-nitroanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135497109
N-[(E)-(4-chlorophenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481651
N,N-diethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 10444556

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one (CID 135874837) is 3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one is O=C(/C(=C\c1ccc(O)cc1)c1nc2ccccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of 3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one?
The InChIKey is IQUWPYXNOUJIPV-JXAWBTAJSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-17-12-10-15(11-13-17)14-18(22(27)16-6-2-1-3-7-16)21-23(28)25-20-9-5-4-8-19(20)24-21/h1-14,26H,(H,25,28)/b18-14-.
What are the key properties of 3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one?
3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one has a molecular weight of 368.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135874837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).