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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).