1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one

C18H26N2O — CID 104747147

IUPAC1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCNC(CN1C(=O)CCc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-19-16(14-7-3-2-4-8-14)13-20-17-10-6-5-9-15(17)11-12-18(20)21/h5-6,9-10,14,16,19H,2-4,7-8,11-13H2,1H3
InChIKeySOHUULDVSDLRPD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one

1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 104747147) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
PubChem CID104747147
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
SMILESCNC(CN1C(=O)CCc2ccccc21)C1CCCCC1
InChIInChI=1S/C18H26N2O/c1-19-16(14-7-3-2-4-8-14)13-20-17-10-6-5-9-15(17)11-12-18(20)21/h5-6,9-10,14,16,19H,2-4,7-8,11-13H2,1H3
InChIKeySOHUULDVSDLRPD-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-cyclopropyl-2-(ethylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63915018
1-[2-cyclohexyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 113448405
1-cyclohexyl-N-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 104744540
1-[2-(methylamino)butyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 62041220
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 104747148
1-[2-cyclopropyl-2-(methylamino)ethyl]piperidine-2,6-dione
CID 63914391
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304
1-cyclohexyl-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 104744469
1-cyclopropyl-N-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63913854
1-[2-hydroxy-3-(2-methylpropylamino)propyl]-3,4-dihydroquinolin-2-one
CID 115475527
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
CID 16792075

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one (CID 104747147) is 1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one is CNC(CN1C(=O)CCc2ccccc21)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is SOHUULDVSDLRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-16(14-7-3-2-4-8-14)13-20-17-10-6-5-9-15(17)11-12-18(20)21/h5-6,9-10,14,16,19H,2-4,7-8,11-13H2,1H3.
What are the key properties of 1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one?
1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 104747147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).