3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one

C22H15ClN2O2 — CID 1493865

IUPAC3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one
SMILESO=c1c(C=C(O)c2ccc(Cl)cc2)nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H15ClN2O2/c23-16-12-10-15(11-13-16)21(26)14-19-22(27)25(17-6-2-1-3-7-17)20-9-5-4-8-18(20)24-19/h1-14,26H
InChIKeyHMTHXZJCRXVYNX-UHFFFAOYSA-N
MW374.83 g/mol
LogP5.10
Rot. Bonds3

About 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one

3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one (PubChem CID 1493865) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one
PubChem CID1493865
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one
SMILESO=c1c(C=C(O)c2ccc(Cl)cc2)nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C22H15ClN2O2/c23-16-12-10-15(11-13-16)21(26)14-19-22(27)25(17-6-2-1-3-7-17)20-9-5-4-8-18(20)24-19/h1-14,26H
InChIKeyHMTHXZJCRXVYNX-UHFFFAOYSA-N
XLogP5.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1-phenylquinoxalin-2-one
CID 135440789
1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
CID 162414456
3-amino-1-phenylquinoxalin-2-one
CID 19045865
1-(4-chlorophenyl)-3-piperidin-1-ylquinoxalin-2-one
CID 20565489
2-chloro-1-phenylbenzimidazole
CID 12675133
1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 11702687
1-methyl-3-[(Z)-2-(4-methylphenyl)prop-1-enyl]quinoxalin-2-one
CID 99945365
1-phenyl-2-(2-phenylprop-1-enyl)benzimidazole
CID 67620863
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
ethyl (E)-4-[3-[(Z)-2-hydroxy-2-phenylethenyl]-2-oxoquinoxalin-1-yl]but-2-enoate
CID 162414451
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one (CID 1493865) is 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one is O=c1c(C=C(O)c2ccc(Cl)cc2)nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one?
The InChIKey is HMTHXZJCRXVYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-16-12-10-15(11-13-16)21(26)14-19-22(27)25(17-6-2-1-3-7-17)20-9-5-4-8-18(20)24-19/h1-14,26H.
What are the key properties of 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one?
3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one has a molecular weight of 374.83 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-hydroxyethenyl]-1-phenylquinoxalin-2-one is sourced from PubChem (CID 1493865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).