6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one

C22H24N2O — CID 788319

IUPAC6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN3CCCCC3)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H24N2O/c1-16-10-11-20-18(14-16)21(17-8-4-2-5-9-17)19(22(25)23-20)15-24-12-6-3-7-13-24/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,23,25)
InChIKeyYBUYQLBYQGZSCZ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.49
Rot. Bonds3

About 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one

6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one (PubChem CID 788319) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one
PubChem CID788319
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN3CCCCC3)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H24N2O/c1-16-10-11-20-18(14-16)21(17-8-4-2-5-9-17)19(22(25)23-20)15-24-12-6-3-7-13-24/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,23,25)
InChIKeyYBUYQLBYQGZSCZ-UHFFFAOYSA-N
XLogP4.49
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one (CID 788319) is 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN3CCCCC3)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one?
The InChIKey is YBUYQLBYQGZSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-10-11-20-18(14-16)21(17-8-4-2-5-9-17)19(22(25)23-20)15-24-12-6-3-7-13-24/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,23,25).
What are the key properties of 6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one?
6-methyl-4-phenyl-3-(piperidin-1-ylmethyl)-1H-quinolin-2-one has a molecular weight of 332.45 g/mol, XLogP of 4.49, 3 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-(piperidin-1-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 788319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).