3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one

C14H18N2O2 — CID 84632299

IUPAC3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one
SMILESCOc1cc(C)c2[nH]c(=O)c(CCN)c(C)c2c1
InChIInChI=1S/C14H18N2O2/c1-8-6-10(18-3)7-12-9(2)11(4-5-15)14(17)16-13(8)12/h6-7H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyYIYSHGQBDWVTAY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.65
Rot. Bonds3

About 3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one

3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one (PubChem CID 84632299) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one
PubChem CID84632299
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one
SMILESCOc1cc(C)c2[nH]c(=O)c(CCN)c(C)c2c1
InChIInChI=1S/C14H18N2O2/c1-8-6-10(18-3)7-12-9(2)11(4-5-15)14(17)16-13(8)12/h6-7H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyYIYSHGQBDWVTAY-UHFFFAOYSA-N
XLogP1.65
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-4,8-dimethyl-3-[2-(methylamino)ethyl]-1H-quinolin-2-one
CID 84638196
7-methoxy-5-methyl-1,4-dihydroquinoxaline-2,3-dione
CID 142746096
3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one
CID 62873195
3-(2-aminoethyl)-4-methyl-6-propan-2-yloxy-1H-quinolin-2-one
CID 84638203
2-methoxy-4,9-dimethyl-5H-phenanthridin-6-one;hydrochloride
CID 175751671
6-methoxy-8-methyl-2-propyl-1H-quinolin-4-one
CID 62872824
2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
CID 62873006
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82495879
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82493658
2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine
CID 130066698
3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid
CID 84638582
4-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4566691

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one (CID 84632299) is 3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one is COc1cc(C)c2[nH]c(=O)c(CCN)c(C)c2c1.
What is the InChIKey of 3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one?
The InChIKey is YIYSHGQBDWVTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8-6-10(18-3)7-12-9(2)11(4-5-15)14(17)16-13(8)12/h6-7H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one?
3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 84632299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).