5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one

C17H13N3O — CID 10826247

IUPAC5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one
SMILESCn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21
InChIInChI=1S/C17H13N3O/c1-19-15-10-6-5-9-13(15)14-11-20(18-16(14)17(19)21)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyBWHJBMVFOYHLHQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.88
Rot. Bonds1

About 5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one

5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one (PubChem CID 10826247) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one
PubChem CID10826247
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one
SMILESCn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21
InChIInChI=1S/C17H13N3O/c1-19-15-10-6-5-9-13(15)14-11-20(18-16(14)17(19)21)12-7-3-2-4-8-12/h2-11H,1H3
InChIKeyBWHJBMVFOYHLHQ-UHFFFAOYSA-N
XLogP2.88
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one (CID 10826247) is 5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one is Cn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21.
What is the InChIKey of 5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one?
The InChIKey is BWHJBMVFOYHLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-19-15-10-6-5-9-13(15)14-11-20(18-16(14)17(19)21)12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one?
5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one has a molecular weight of 275.31 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylpyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 10826247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).