6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C17H13N3O — CID 1489041

IUPAC6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1cccc2c1ncc1c(=O)n(-c3ccccc3)[nH]c12
InChIInChI=1S/C17H13N3O/c1-11-6-5-9-13-15(11)18-10-14-16(13)19-20(17(14)21)12-7-3-2-4-8-12/h2-10,19H,1H3
InChIKeyYEHUCUKIZMEULY-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.18
Rot. Bonds1

About 6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 1489041) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID1489041
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1cccc2c1ncc1c(=O)n(-c3ccccc3)[nH]c12
InChIInChI=1S/C17H13N3O/c1-11-6-5-9-13-15(11)18-10-14-16(13)19-20(17(14)21)12-7-3-2-4-8-12/h2-10,19H,1H3
InChIKeyYEHUCUKIZMEULY-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

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 6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 1489041) is 6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1cccc2c1ncc1c(=O)n(-c3ccccc3)[nH]c12.
What is the InChIKey of 6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is YEHUCUKIZMEULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-6-5-9-13-15(11)18-10-14-16(13)19-20(17(14)21)12-7-3-2-4-8-12/h2-10,19H,1H3.
What are the key properties of 6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-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 6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 1489041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).