2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C17H13N3O2 — CID 10266271

IUPAC2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOC1=CC=CC(=C1)N2C(=O)C3=C(N2)C4=CC=CC=C4N=C3
InChIInChI=1S/C17H13N3O2/c1-22-12-6-4-5-11(9-12)20-17(21)14-10-18-15-8-3-2-7-13(15)16(14)19-20/h2-10,19H,1H3
InChIKeyMALXTNRWBUWHHG-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.10
Rot. Bonds2

About 2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 10266271) has the molecular formula C17H13N3O2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID10266271
Molecular FormulaC17H13N3O2
Molecular Weight291.30 g/mol
Exact Mass291.10
IUPAC Name2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOC1=CC=CC(=C1)N2C(=O)C3=C(N2)C4=CC=CC=C4N=C3
InChIInChI=1S/C17H13N3O2/c1-22-12-6-4-5-11(9-12)20-17(21)14-10-18-15-8-3-2-7-13(15)16(14)19-20/h2-10,19H,1H3
InChIKeyMALXTNRWBUWHHG-UHFFFAOYSA-N
XLogP3.10
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity430

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 10266271) is 2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COC1=CC=CC(=C1)N2C(=O)C3=C(N2)C4=CC=CC=C4N=C3.
What is the InChIKey of 2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is MALXTNRWBUWHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-12-6-4-5-11(9-12)20-17(21)14-10-18-15-8-3-2-7-13(15)16(14)19-20/h2-10,19H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 291.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 10266271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).