2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one

C17H13N3O — CID 10588437

IUPAC2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
SMILESCc1cccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C17H13N3O/c1-11-5-4-6-12(9-11)20-10-14-13-7-2-3-8-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
InChIKeyKHYUWCCULSYNJP-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.18
Rot. Bonds1

About 2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one

2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one (PubChem CID 10588437) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
PubChem CID10588437
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one
SMILESCc1cccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C17H13N3O/c1-11-5-4-6-12(9-11)20-10-14-13-7-2-3-8-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
InChIKeyKHYUWCCULSYNJP-UHFFFAOYSA-N
XLogP3.18
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2H,4H,5H-pyrazolo(3,4-c)quinolin-4-one
CID 4962866
1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
N-1-naphthalenyl-1-pentyl-1H-indazole-3-carboxamide
CID 119058030
2-benzyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
CID 10636110
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
N-(1-Methyl-1-phenylethyl)-1-pentyl-1H-indazole-3-carboxamide
CID 86273676
2-p-tolyl-2H-pyrazolo[3,4-c]quinolin-4(5H)-one
CID 10731097
N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16193925
N-(5-Isoquinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 9908720
N-(5-Quinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 10430847
2-Phenyl-5-propyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one
CID 10804397

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one (CID 10588437) is 2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one is Cc1cccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)c1.
What is the InChIKey of 2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
The InChIKey is KHYUWCCULSYNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-5-4-6-12(9-11)20-10-14-13-7-2-3-8-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21).
What are the key properties of 2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one?
2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one has a molecular weight of 275.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5H-pyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 10588437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).