3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one

C13H16N2O — CID 23009276

IUPAC3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
SMILESCCNCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C13H16N2O/c1-3-14-8-11-7-10-6-4-5-9(2)12(10)15-13(11)16/h4-7,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyCWAKEJJKYUQGSB-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.95
Rot. Bonds3

About 3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one

3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one (PubChem CID 23009276) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
PubChem CID23009276
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
SMILESCCNCc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C13H16N2O/c1-3-14-8-11-7-10-6-4-5-9(2)12(10)15-13(11)16/h4-7,14H,3,8H2,1-2H3,(H,15,16)
InChIKeyCWAKEJJKYUQGSB-UHFFFAOYSA-N
XLogP1.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(ethylaminomethyl)-8-methyl-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

Related Compounds

8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 18525037
8-methyl-3-[[2-(2-methylphenyl)ethylamino]methyl]-1H-quinolin-2-one
CID 3176401
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
8-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863829
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 110324370
2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324455
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324417
1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324407
3-(ethylaminomethyl)-6,7-dimethyl-1H-quinolin-2-one
CID 23009284
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one (CID 23009276) is 3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one is CCNCc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of 3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one?
The InChIKey is CWAKEJJKYUQGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-14-8-11-7-10-6-4-5-9(2)12(10)15-13(11)16/h4-7,14H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one?
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 23009276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).