3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one

C16H22N2O — CID 84637233

IUPAC3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one
SMILESCC(N)c1cc2cc(C(C)(C)C)ccc2n(C)c1=O
InChIInChI=1S/C16H22N2O/c1-10(17)13-9-11-8-12(16(2,3)4)6-7-14(11)18(5)15(13)19/h6-10H,17H2,1-5H3
InChIKeySNDHSZCFYMUCBO-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.86
Rot. Bonds1

About 3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one

3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one (PubChem CID 84637233) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one
PubChem CID84637233
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one
SMILESCC(N)c1cc2cc(C(C)(C)C)ccc2n(C)c1=O
InChIInChI=1S/C16H22N2O/c1-10(17)13-9-11-8-12(16(2,3)4)6-7-14(11)18(5)15(13)19/h6-10H,17H2,1-5H3
InChIKeySNDHSZCFYMUCBO-UHFFFAOYSA-N
XLogP2.86
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-aminoethyl]-6-chloro-1-methylquinolin-2-one;hydrochloride
CID 118953926
3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 84623500
2-(5-tert-butyl-1-methylindol-2-yl)propan-2-amine
CID 84631643
2-(6-fluoro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
CID 84625979
2-[(1S)-1-aminoethyl]-4-tert-butylaniline
CID 130769790
3-(1-aminoethyl)-1,5,8-trimethylquinolin-2-one
CID 84626184
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
1-(5-tert-butyl-2-fluorophenyl)ethanamine
CID 83988556
3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520127
3-(1-hydroxy-3-methylbutan-2-yl)-1-methylquinolin-2-one
CID 116985134
2-[1-methyl-5-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117121468
1-(1-methyl-5-propan-2-ylindol-2-yl)ethanamine
CID 84622419

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one?
The IUPAC name of 3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one (CID 84637233) is 3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one is CC(N)c1cc2cc(C(C)(C)C)ccc2n(C)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one?
The InChIKey is SNDHSZCFYMUCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10(17)13-9-11-8-12(16(2,3)4)6-7-14(11)18(5)15(13)19/h6-10H,17H2,1-5H3.
What are the key properties of 3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one?
3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-6-tert-butyl-1-methylquinolin-2-one is sourced from PubChem (CID 84637233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).