4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one

C25H19N3O — CID 177377185

IUPAC4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2c(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc(=O)[nH]c2c1
InChIInChI=1S/C25H19N3O/c1-17-12-13-20-22(14-17)26-25(29)16-24(20)28-23(19-10-6-3-7-11-19)15-21(27-28)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,29)
InChIKeyUMEBYRJAVPRJEN-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.36
Rot. Bonds3

About 4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one

4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one (PubChem CID 177377185) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one
PubChem CID177377185
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2c(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc(=O)[nH]c2c1
InChIInChI=1S/C25H19N3O/c1-17-12-13-20-22(14-17)26-25(29)16-24(20)28-23(19-10-6-3-7-11-19)15-21(27-28)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,29)
InChIKeyUMEBYRJAVPRJEN-UHFFFAOYSA-N
XLogP5.36
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one?
The IUPAC name of 4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one (CID 177377185) is 4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one is Cc1ccc2c(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc(=O)[nH]c2c1.
What is the InChIKey of 4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one?
The InChIKey is UMEBYRJAVPRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-17-12-13-20-22(14-17)26-25(29)16-24(20)28-23(19-10-6-3-7-11-19)15-21(27-28)18-8-4-2-5-9-18/h2-16H,1H3,(H,26,29).
What are the key properties of 4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one?
4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one has a molecular weight of 377.45 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylpyrazol-1-yl)-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 177377185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).