7-chloro-3-propan-2-yl-1H-quinoxalin-2-one

C11H11ClN2O — CID 10944074

IUPAC7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1nc2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C11H11ClN2O/c1-6(2)10-11(15)14-9-5-7(12)3-4-8(9)13-10/h3-6H,1-2H3,(H,14,15)
InChIKeyYMZKERNANBYOFS-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.70
Rot. Bonds1

About 7-chloro-3-propan-2-yl-1H-quinoxalin-2-one

7-chloro-3-propan-2-yl-1H-quinoxalin-2-one (PubChem CID 10944074) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 7-chloro-3-propan-2-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
PubChem CID10944074
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name7-chloro-3-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1nc2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C11H11ClN2O/c1-6(2)10-11(15)14-9-5-7(12)3-4-8(9)13-10/h3-6H,1-2H3,(H,14,15)
InChIKeyYMZKERNANBYOFS-UHFFFAOYSA-N
XLogP2.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
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1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one
CID 158634585
(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 66734805
7-chloro-3-[(Z)-1-(4-chlorophenyl)-1-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 135493813
(2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 36688844
6-chloro-2-[(1R)-1-(4-propan-2-ylphenoxy)ethyl]-1H-benzimidazole
CID 51662859
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
7-chloro-3-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]-1H-quinoxalin-2-one
CID 92542658
7-chloro-3-[(Z)-1-hydroxy-1-phenylbut-1-en-2-yl]-1H-quinoxalin-2-one
CID 135493809
2-(6-methoxy-3-oxo-4H-quinoxalin-2-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-propan-2-yl-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-3-propan-2-yl-1H-quinoxalin-2-one (CID 10944074) is 7-chloro-3-propan-2-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-propan-2-yl-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-propan-2-yl-1H-quinoxalin-2-one is CC(C)c1nc2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-3-propan-2-yl-1H-quinoxalin-2-one?
The InChIKey is YMZKERNANBYOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-6(2)10-11(15)14-9-5-7(12)3-4-8(9)13-10/h3-6H,1-2H3,(H,14,15).
What are the key properties of 7-chloro-3-propan-2-yl-1H-quinoxalin-2-one?
7-chloro-3-propan-2-yl-1H-quinoxalin-2-one has a molecular weight of 222.67 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-propan-2-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 10944074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).