3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one

C19H18N2O2 — CID 135637753

IUPAC3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one
SMILESCc1ccc(C)c(/C(O)=C\c2nc3ccc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C19H18N2O2/c1-11-4-6-13(3)14(8-11)18(22)10-17-19(23)21-16-9-12(2)5-7-15(16)20-17/h4-10,22H,1-3H3,(H,21,23)/b18-10+
InChIKeyJJYPEAIDNQDMNP-VCHYOVAHSA-N
MW306.37 g/mol
LogP3.90
Rot. Bonds2

About 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one

3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one (PubChem CID 135637753) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one
PubChem CID135637753
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one
SMILESCc1ccc(C)c(/C(O)=C\c2nc3ccc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C19H18N2O2/c1-11-4-6-13(3)14(8-11)18(22)10-17-19(23)21-16-9-12(2)5-7-15(16)20-17/h4-10,22H,1-3H3,(H,21,23)/b18-10+
InChIKeyJJYPEAIDNQDMNP-VCHYOVAHSA-N
XLogP3.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-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-(aminomethyl)-7-methyl-1H-quinoxalin-2-one
CID 117274834
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
(Z)-1-(2,4-dimethylphenyl)-2-[3-[(Z)-2-(2,4-dimethylphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol
CID 135477989
3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one
CID 135612995
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
7-chloro-3-[(1Z,3E)-2-hydroxy-4-phenylbuta-1,3-dienyl]-1H-quinoxalin-2-one
CID 135493823
tert-butyl N-[2-[(Z)-1-hydroxy-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]carbamate
CID 162670501
2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 135522116
3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
CID 135508597
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 83857711

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one?
The IUPAC name of 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one (CID 135637753) is 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one is Cc1ccc(C)c(/C(O)=C\c2nc3ccc(C)cc3[nH]c2=O)c1.
What is the InChIKey of 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one?
The InChIKey is JJYPEAIDNQDMNP-VCHYOVAHSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-11-4-6-13(3)14(8-11)18(22)10-17-19(23)21-16-9-12(2)5-7-15(16)20-17/h4-10,22H,1-3H3,(H,21,23)/b18-10+.
What are the key properties of 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one?
3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 135637753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).