7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one

C17H12Cl2N2O2 — CID 135493813

IUPAC7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one
SMILESC/C(=C(/O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C17H12Cl2N2O2/c1-9(16(22)10-2-4-11(18)5-3-10)15-17(23)21-14-8-12(19)6-7-13(14)20-15/h2-8,22H,1H3,(H,21,23)/b16-9-
InChIKeyYNAGHGOQMIJIDT-SXGWCWSVSA-N
MW347.20 g/mol
LogP4.68
Rot. Bonds2

About 7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one

7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one (PubChem CID 135493813) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one
PubChem CID135493813
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one
SMILESC/C(=C(/O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C17H12Cl2N2O2/c1-9(16(22)10-2-4-11(18)5-3-10)15-17(23)21-14-8-12(19)6-7-13(14)20-15/h2-8,22H,1H3,(H,21,23)/b16-9-
InChIKeyYNAGHGOQMIJIDT-SXGWCWSVSA-N
XLogP4.68
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.68
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-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one
CID 135493809
3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
CID 10944074
7-chloro-3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-1H-quinoxalin-2-one
CID 135493821
7-chloro-3-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]-1H-quinoxalin-2-one
CID 92542658
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
N-[4-[(1R,2E)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-(dimethylhydrazinylidene)-1-hydroxyethyl]phenyl]acetamide
CID 136774473
8-chloro-1H-1,5-benzodiazepine-2,3-dione
CID 23354162
[(E)-[(2S)-2-[4-[(1R,2Z)-2-(carbamoylhydrazinylidene)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-1-hydroxyethyl]phenyl]-1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxyethylidene]amino]urea
CID 136774489
7-chloro-3-[(E)-N-hydroxy-C-[(R)-hydroxy-(4-nitrophenyl)methyl]carbonimidoyl]-1H-quinoxalin-2-one
CID 136916593
2-[(E)-[(2S)-1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxy-2-(4-methoxyphenyl)ethylidene]amino]guanidine
CID 137105709

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one (CID 135493813) is 7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one is C/C(=C(/O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one?
The InChIKey is YNAGHGOQMIJIDT-SXGWCWSVSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-9(16(22)10-2-4-11(18)5-3-10)15-17(23)21-14-8-12(19)6-7-13(14)20-15/h2-8,22H,1H3,(H,21,23)/b16-9-.
What are the key properties of 7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one?
7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one has a molecular weight of 347.20 g/mol, XLogP of 4.68, 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)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135493813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).