6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one

C18H26N2O — CID 63105199

IUPAC6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)CC3CCCCC3)ccc21
InChIInChI=1S/C18H26N2O/c1-20-17-9-7-14(12-15(17)8-10-18(20)21)16(19)11-13-5-3-2-4-6-13/h7,9,12-13,16H,2-6,8,10-11,19H2,1H3
InChIKeySXRNTQHURVIRFJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.57
Rot. Bonds3

About 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63105199) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63105199
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(N)CC3CCCCC3)ccc21
InChIInChI=1S/C18H26N2O/c1-20-17-9-7-14(12-15(17)8-10-18(20)21)16(19)11-13-5-3-2-4-6-13/h7,9,12-13,16H,2-6,8,10-11,19H2,1H3
InChIKeySXRNTQHURVIRFJ-UHFFFAOYSA-N
XLogP3.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
CID 103162728
6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104653
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-(1,3-diaminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116932774
6-(2-cyclopropyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107261
6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106320
3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 116851226
6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106693
5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299908
methyl 3-amino-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoate
CID 116940125

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 63105199) is 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(N)CC3CCCCC3)ccc21.
What is the InChIKey of 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is SXRNTQHURVIRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20-17-9-7-14(12-15(17)8-10-18(20)21)16(19)11-13-5-3-2-4-6-13/h7,9,12-13,16H,2-6,8,10-11,19H2,1H3.
What are the key properties of 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 286.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63105199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).