3-chloro-1-methylquinoxalin-2-one

C9H7ClN2O — CID 1471088

IUPAC3-chloro-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(Cl)nc2ccccc21
InChIInChI=1S/C9H7ClN2O/c1-12-7-5-3-2-4-6(7)11-8(10)9(12)13/h2-5H,1H3
InChIKeyAVOGNDGKQXBUOJ-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.59
Rot. Bonds

About 3-chloro-1-methylquinoxalin-2-one

3-chloro-1-methylquinoxalin-2-one (PubChem CID 1471088) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 3-chloro-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-chloro-1-methylquinoxalin-2-one
PubChem CID1471088
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name3-chloro-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(Cl)nc2ccccc21
InChIInChI=1S/C9H7ClN2O/c1-12-7-5-3-2-4-6(7)11-8(10)9(12)13/h2-5H,1H3
InChIKeyAVOGNDGKQXBUOJ-UHFFFAOYSA-N
XLogP1.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethylquinoxaline-2,3-dione
CID 351421
1-Methyl-1,2-dihydroquinoxalin-2-one
CID 351429
2-Chloro-N-methyl-N-phenylacetamide
CID 75797
2-Chloro-N-ethylacetanilide
CID 94918
1,3-dimethylquinoxalin-2(1H)-one
CID 351422
2-Chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 254760
3-(dimethylamino)-1-methyl-2(1H)-quinoxalinone
CID 1471092
1-(4-Acetyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 250570
1,3-diethylquinoxalin-2(1H)-one
CID 664952
3,5-Dichloro-1-phenylpyrazin-2(1H)-one
CID 11299460
2-Quinoxalinol, 3-(trichloromethyl)-
CID 99447
Acetanilide, 2-chloro-N-((diethylcarbamoyl)methyl)-
CID 60130

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methylquinoxalin-2-one?
The IUPAC name of 3-chloro-1-methylquinoxalin-2-one (CID 1471088) is 3-chloro-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-chloro-1-methylquinoxalin-2-one?
The canonical SMILES for 3-chloro-1-methylquinoxalin-2-one is Cn1c(=O)c(Cl)nc2ccccc21.
What is the InChIKey of 3-chloro-1-methylquinoxalin-2-one?
The InChIKey is AVOGNDGKQXBUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-12-7-5-3-2-4-6(7)11-8(10)9(12)13/h2-5H,1H3.
What are the key properties of 3-chloro-1-methylquinoxalin-2-one?
3-chloro-1-methylquinoxalin-2-one has a molecular weight of 194.62 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methylquinoxalin-2-one is sourced from PubChem (CID 1471088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).