3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one

C11H8ClN3O — CID 175861883

IUPAC3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one
SMILESCc1nn2c(c1Cl)c(=O)[nH]c1ccccc12
InChIInChI=1S/C11H8ClN3O/c1-6-9(12)10-11(16)13-7-4-2-3-5-8(7)15(10)14-6/h2-5H,1H3,(H,13,16)
InChIKeyYSWONIOCCHPKOJ-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.14
Rot. Bonds

About 3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one

3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one (PubChem CID 175861883) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one
PubChem CID175861883
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one
SMILESCc1nn2c(c1Cl)c(=O)[nH]c1ccccc12
InChIInChI=1S/C11H8ClN3O/c1-6-9(12)10-11(16)13-7-4-2-3-5-8(7)15(10)14-6/h2-5H,1H3,(H,13,16)
InChIKeyYSWONIOCCHPKOJ-UHFFFAOYSA-N
XLogP2.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 175861879
1-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 15076566
2,3-dioxo-4H-quinoxaline-1-sulfonyl chloride
CID 23470781
4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170903
3-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazol-2-one
CID 150942006
2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 135518126
3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 16502119
4-amino-1H-quinoxaline-2,3-dione;hydrochloride
CID 139677932
1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one
CID 155808210
5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135823739
2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 177452003
5,7-dimethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135708002

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one (CID 175861883) is 3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one is Cc1nn2c(c1Cl)c(=O)[nH]c1ccccc12.
What is the InChIKey of 3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is YSWONIOCCHPKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c1-6-9(12)10-11(16)13-7-4-2-3-5-8(7)15(10)14-6/h2-5H,1H3,(H,13,16).
What are the key properties of 3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one?
3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 233.66 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5H-pyrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 175861883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).