6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one

C21H16N2O — CID 142993468

IUPAC6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3ccccn3)c(-c3ccccc3)c2c1
InChIInChI=1S/C21H16N2O/c1-14-10-11-17-16(13-14)19(15-7-3-2-4-8-15)20(21(24)23-17)18-9-5-6-12-22-18/h2-13H,1H3,(H,23,24)
InChIKeyIYGKFQJVCQIDLQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.57
Rot. Bonds2

About 6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one

6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one (PubChem CID 142993468) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one
PubChem CID142993468
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(-c3ccccn3)c(-c3ccccc3)c2c1
InChIInChI=1S/C21H16N2O/c1-14-10-11-17-16(13-14)19(15-7-3-2-4-8-15)20(21(24)23-17)18-9-5-6-12-22-18/h2-13H,1H3,(H,23,24)
InChIKeyIYGKFQJVCQIDLQ-UHFFFAOYSA-N
XLogP4.57
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one?
The IUPAC name of 6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one (CID 142993468) is 6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(-c3ccccn3)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one?
The InChIKey is IYGKFQJVCQIDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-14-10-11-17-16(13-14)19(15-7-3-2-4-8-15)20(21(24)23-17)18-9-5-6-12-22-18/h2-13H,1H3,(H,23,24).
What are the key properties of 6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one?
6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one has a molecular weight of 312.37 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 142993468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).