7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one

C18H15ClN2O2 — CID 135493809

IUPAC7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one
SMILESCC/C(=C(/O)c1ccccc1)c1nc2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C18H15ClN2O2/c1-2-13(17(22)11-6-4-3-5-7-11)16-18(23)21-15-10-12(19)8-9-14(15)20-16/h3-10,22H,2H2,1H3,(H,21,23)/b17-13-
InChIKeyPZSOIPXIWCAXER-LGMDPLHJSA-N
MW326.78 g/mol
LogP4.41
Rot. Bonds3

About 7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one

7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one (PubChem CID 135493809) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one
PubChem CID135493809
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one
SMILESCC/C(=C(/O)c1ccccc1)c1nc2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C18H15ClN2O2/c1-2-13(17(22)11-6-4-3-5-7-11)16-18(23)21-15-10-12(19)8-9-14(15)20-16/h3-10,22H,2H2,1H3,(H,21,23)/b17-13-
InChIKeyPZSOIPXIWCAXER-LGMDPLHJSA-N
XLogP4.41
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.41
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

7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 135493813
3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
7-chloro-3-[(E)-C-[(R)-[4-[(1S,2Z)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-1-hydroxy-2-(methylhydrazinylidene)ethyl]phenyl]-hydroxymethyl]-N-(methylamino)carbonimidoyl]-1H-quinoxalin-2-one
CID 136756969
3-[(E)-N-anilino-C-[(S)-hydroxy-(4-methoxyphenyl)methyl]carbonimidoyl]-7-chloro-1H-quinoxalin-2-one
CID 137105718
3-[2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-1-hydroxy-2-oxoethyl]-N-hydroxybenzeneamine oxide
CID 21142127
N-[[1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxy-2-phenylethylidene]amino]-2-cyanoacetamide
CID 5142505
7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
CID 10944074
7-chloro-3-[(E)-N-hydroxy-C-[hydroxy-(3-nitrophenyl)methyl]carbonimidoyl]-1H-quinoxalin-2-one
CID 135499201
7-chloro-3-[(E)-N-hydroxy-C-[(R)-hydroxy-(4-nitrophenyl)methyl]carbonimidoyl]-1H-quinoxalin-2-one
CID 136916593
7-chloro-3-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]-1H-quinoxalin-2-one
CID 92542658
7-chloro-3-[(1Z,3E)-2-hydroxy-4-phenylbuta-1,3-dienyl]-1H-quinoxalin-2-one
CID 135493823
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one (CID 135493809) is 7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one is CC/C(=C(/O)c1ccccc1)c1nc2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one?
The InChIKey is PZSOIPXIWCAXER-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-13(17(22)11-6-4-3-5-7-11)16-18(23)21-15-10-12(19)8-9-14(15)20-16/h3-10,22H,2H2,1H3,(H,21,23)/b17-13-.
What are the key properties of 7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one?
7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one has a molecular weight of 326.78 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135493809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).