7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one

C16H10ClFN2O2 — CID 135493821

IUPAC7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2nc1/C=C(\O)c1ccc(F)cc1
InChIInChI=1S/C16H10ClFN2O2/c17-10-3-6-12-13(7-10)20-16(22)14(19-12)8-15(21)9-1-4-11(18)5-2-9/h1-8,21H,(H,20,22)/b15-8-
InChIKeyPHSGJGIHLYJXBZ-NVNXTCNLSA-N
MW316.72 g/mol
LogP3.77
Rot. Bonds2

About 7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one

7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one (PubChem CID 135493821) has the molecular formula C16H10ClFN2O2 and a molecular weight of 316.72 g/mol. Its IUPAC name is 7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
PubChem CID135493821
Molecular FormulaC16H10ClFN2O2
Molecular Weight316.72 g/mol
Exact Mass316.04
IUPAC Name7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2nc1/C=C(\O)c1ccc(F)cc1
InChIInChI=1S/C16H10ClFN2O2/c17-10-3-6-12-13(7-10)20-16(22)14(19-12)8-15(21)9-1-4-11(18)5-2-9/h1-8,21H,(H,20,22)/b15-8-
InChIKeyPHSGJGIHLYJXBZ-NVNXTCNLSA-N
XLogP3.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949237
6-chloro-3-[2-(4-fluorophenyl)-2-hydroxyethenyl]-8-nitro-1H-quinoxalin-2-one
CID 3937790
7-chloro-3-[(1Z,3E)-2-hydroxy-4-phenylbuta-1,3-dienyl]-1H-quinoxalin-2-one
CID 135493823
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-pyrido[2,3-b]pyrazin-2-one
CID 135580950
3-[(Z)-2-hydroxy-2-naphthalen-2-ylethenyl]-1H-quinoxalin-2-one
CID 135612995
3-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinoxalin-2-one
CID 135949253
N-[(4-fluorophenyl)methyl]-2-[(Z)-2-hydroxy-2-(3-methoxyphenyl)ethenyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949220
3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 135493813
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one (CID 135493821) is 7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one is O=c1[nH]c2cc(Cl)ccc2nc1/C=C(\O)c1ccc(F)cc1.
What is the InChIKey of 7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one?
The InChIKey is PHSGJGIHLYJXBZ-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H10ClFN2O2/c17-10-3-6-12-13(7-10)20-16(22)14(19-12)8-15(21)9-1-4-11(18)5-2-9/h1-8,21H,(H,20,22)/b15-8-.
What are the key properties of 7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one?
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one has a molecular weight of 316.72 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135493821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).