7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one

C26H27N3O — CID 42162824

IUPAC7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCc1ccc2cc(CN(C)CCc3ccccc3)c(=O)n(Cc3ccccn3)c2c1
InChIInChI=1S/C26H27N3O/c1-20-11-12-22-17-23(18-28(2)15-13-21-8-4-3-5-9-21)26(30)29(25(22)16-20)19-24-10-6-7-14-27-24/h3-12,14,16-17H,13,15,18-19H2,1-2H3
InChIKeyIZQVXALRQFEYBI-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.43
Rot. Bonds7

About 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one

7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one (PubChem CID 42162824) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
PubChem CID42162824
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
SMILESCc1ccc2cc(CN(C)CCc3ccccc3)c(=O)n(Cc3ccccn3)c2c1
InChIInChI=1S/C26H27N3O/c1-20-11-12-22-17-23(18-28(2)15-13-21-8-4-3-5-9-21)26(30)29(25(22)16-20)19-24-10-6-7-14-27-24/h3-12,14,16-17H,13,15,18-19H2,1-2H3
InChIKeyIZQVXALRQFEYBI-UHFFFAOYSA-N
XLogP4.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)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

Related Compounds

3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 29256594
1,6-dimethyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 77090295
5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 42485037
7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 56721286
7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42398183
3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one
CID 45236819
4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 141191896
N-benzyl-2,4-dioxo-N-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026531
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
3-[[[(4-chlorophenyl)-phenylmethyl]amino]methyl]-7-methylsulfanyl-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 45246344
2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 144884135
3-(aminomethyl)-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 107073142

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The IUPAC name of 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one (CID 42162824) is 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The canonical SMILES for 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one is Cc1ccc2cc(CN(C)CCc3ccccc3)c(=O)n(Cc3ccccn3)c2c1.
What is the InChIKey of 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
The InChIKey is IZQVXALRQFEYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-20-11-12-22-17-23(18-28(2)15-13-21-8-4-3-5-9-21)26(30)29(25(22)16-20)19-24-10-6-7-14-27-24/h3-12,14,16-17H,13,15,18-19H2,1-2H3.
What are the key properties of 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one?
7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one has a molecular weight of 397.52 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one is sourced from PubChem (CID 42162824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).