8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C17H13N3O2 — CID 10039909

IUPAC8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1
InChIInChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3
InChIKeyVYLRWCGZMBVWLO-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.88
Rot. Bonds2

About 8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 10039909) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID10039909
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1
InChIInChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3
InChIKeyVYLRWCGZMBVWLO-UHFFFAOYSA-N
XLogP2.88
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.88
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 8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 10039909) is 8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.
What is the InChIKey of 8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is VYLRWCGZMBVWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3.
What are the key properties of 8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 291.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 10039909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).