3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one

C16H12N2O3 — CID 135713003

IUPAC3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=C(\O)c1ccc(O)cc1
InChIInChI=1S/C16H12N2O3/c19-11-7-5-10(6-8-11)15(20)9-14-16(21)18-13-4-2-1-3-12(13)17-14/h1-9,19-20H,(H,18,21)/b15-9-
InChIKeyCRXDHNOZGYQSAL-DHDCSXOGSA-N
MW280.28 g/mol
LogP2.68
Rot. Bonds2

About 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one

3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 135713003) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID135713003
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=C(\O)c1ccc(O)cc1
InChIInChI=1S/C16H12N2O3/c19-11-7-5-10(6-8-11)15(20)9-14-16(21)18-13-4-2-1-3-12(13)17-14/h1-9,19-20H,(H,18,21)/b15-9-
InChIKeyCRXDHNOZGYQSAL-DHDCSXOGSA-N
XLogP2.68
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-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)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one
CID 135612995
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094
3-(2-hydroxy-3,3-dimethylbut-1-enyl)-1H-quinoxalin-2-one
CID 702935
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
3,4,5-trihydroxy-N-[3-[(E)-1-hydroxy-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]benzamide
CID 135541452
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781
3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
CID 135580950
tert-butyl N-[2-[(Z)-1-hydroxy-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]carbamate
CID 162670501
3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
CID 135508597
(Z)-2-[3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-yl]-1-phenylethenol
CID 135452041

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one (CID 135713003) is 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1/C=C(\O)c1ccc(O)cc1.
What is the InChIKey of 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is CRXDHNOZGYQSAL-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-11-7-5-10(6-8-11)15(20)9-14-16(21)18-13-4-2-1-3-12(13)17-14/h1-9,19-20H,(H,18,21)/b15-9-.
What are the key properties of 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one?
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 280.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135713003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).