6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one

C16H22N2O — CID 103162813

IUPAC6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(CC1CCC1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H22N2O/c1-17-15(9-11-3-2-4-11)13-5-7-14-12(10-13)6-8-16(19)18-14/h5,7,10-11,15,17H,2-4,6,8-9H2,1H3,(H,18,19)
InChIKeyRWOQHMDMBOMOGJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.02
Rot. Bonds4

About 6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 103162813) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID103162813
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNC(CC1CCC1)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H22N2O/c1-17-15(9-11-3-2-4-11)13-5-7-14-12(10-13)6-8-16(19)18-14/h5,7,10-11,15,17H,2-4,6,8-9H2,1H3,(H,18,19)
InChIKeyRWOQHMDMBOMOGJ-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[1-(methylamino)-3-sulfanylpropyl]-3,4-dihydro-1H-quinolin-2-one
CID 116831398
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
6-[1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483892
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
7-(2-cyclobutyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103165412
6-[1-(ethylamino)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490895
7-(2-cyclopentyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61083386
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 116951044
6-(1-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
CID 63433506
7-(2-cyclohexyl-1-hydroxyethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61080673
7-[1-(methylamino)heptyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 114752371

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 103162813) is 6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one is CNC(CC1CCC1)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RWOQHMDMBOMOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-15(9-11-3-2-4-11)13-5-7-14-12(10-13)6-8-16(19)18-14/h5,7,10-11,15,17H,2-4,6,8-9H2,1H3,(H,18,19).
What are the key properties of 6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 258.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 103162813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).