3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one

C19H20N2O — CID 710601

IUPAC3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1CN(C)Cc1ccccc1
InChIInChI=1S/C19H20N2O/c1-14-17(13-21(2)12-15-8-4-3-5-9-15)19(22)16-10-6-7-11-18(16)20-14/h3-11H,12-13H2,1-2H3,(H,20,22)
InChIKeyGJRLAFXGKXGLNH-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.47
Rot. Bonds4

About 3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one

3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one (PubChem CID 710601) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one
PubChem CID710601
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1CN(C)Cc1ccccc1
InChIInChI=1S/C19H20N2O/c1-14-17(13-21(2)12-15-8-4-3-5-9-15)19(22)16-10-6-7-11-18(16)20-14/h3-11H,12-13H2,1-2H3,(H,20,22)
InChIKeyGJRLAFXGKXGLNH-UHFFFAOYSA-N
XLogP3.47
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one (CID 710601) is 3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one is Cc1[nH]c2ccccc2c(=O)c1CN(C)Cc1ccccc1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
The InChIKey is GJRLAFXGKXGLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-17(13-21(2)12-15-8-4-3-5-9-15)19(22)16-10-6-7-11-18(16)20-14/h3-11H,12-13H2,1-2H3,(H,20,22).
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one has a molecular weight of 292.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 710601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).