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

C14H20N2O2 — CID 84633155

IUPAC4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one
SMILESCOc1cc(C)c2c(c1)C(CCN)CC(=O)N2C
InChIInChI=1S/C14H20N2O2/c1-9-6-11(18-3)8-12-10(4-5-15)7-13(17)16(2)14(9)12/h6,8,10H,4-5,7,15H2,1-3H3
InChIKeyXJRHGTOSMLJUCO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds3

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

4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one (PubChem CID 84633155) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one
PubChem CID84633155
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one
SMILESCOc1cc(C)c2c(c1)C(CCN)CC(=O)N2C
InChIInChI=1S/C14H20N2O2/c1-9-6-11(18-3)8-12-10(4-5-15)7-13(17)16(2)14(9)12/h6,8,10H,4-5,7,15H2,1-3H3
InChIKeyXJRHGTOSMLJUCO-UHFFFAOYSA-N
XLogP1.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-6,8-dimethoxy-1-methyl-3,4-dihydroquinolin-2-one
CID 84628304
4-(2-aminoethyl)-1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 84622894
4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 84622908
4-(2-aminoethyl)-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 84624080
tert-butyl 2-[(4R)-1,6,8-trimethyl-2-oxo-3,4-dihydroquinolin-4-yl]acetate
CID 102523398
2-(6-methoxy-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84633229
(3S)-3-(4-methoxy-2-methylphenyl)-1-methylpyrrolidine-2,5-dione
CID 101365658
3-(3,5-dimethoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 3050266
1-(3-aminopropyl)-5-methoxy-7-methylindole-2,3-dione
CID 84633041
3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82159287
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
CID 84639173

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one (CID 84633155) is 4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one is COc1cc(C)c2c(c1)C(CCN)CC(=O)N2C.
What is the InChIKey of 4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one?
The InChIKey is XJRHGTOSMLJUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-6-11(18-3)8-12-10(4-5-15)7-13(17)16(2)14(9)12/h6,8,10H,4-5,7,15H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one?
4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-6-methoxy-1,8-dimethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 84633155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).