6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one

C17H23NO2 — CID 63104653

IUPAC6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)CC3CCCC3)ccc21
InChIInChI=1S/C17H23NO2/c1-18-15-8-6-14(11-13(15)7-9-17(18)20)16(19)10-12-4-2-3-5-12/h6,8,11-12,16,19H,2-5,7,9-10H2,1H3
InChIKeyINSWHCSQQPCLLM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.21
Rot. Bonds3

About 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63104653) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63104653
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)CC3CCCC3)ccc21
InChIInChI=1S/C17H23NO2/c1-18-15-8-6-14(11-13(15)7-9-17(18)20)16(19)10-12-4-2-3-5-12/h6,8,11-12,16,19H,2-5,7,9-10H2,1H3
InChIKeyINSWHCSQQPCLLM-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

6-(2-cyclopropyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107261
6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106693
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106320
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 83148581
6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82291111
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881
6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107073
3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82124052
5-(1-bromo-2-cyclopentylethyl)-1-methyl-3H-indol-2-one
CID 61098748
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 63104653) is 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(O)CC3CCCC3)ccc21.
What is the InChIKey of 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is INSWHCSQQPCLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-15-8-6-14(11-13(15)7-9-17(18)20)16(19)10-12-4-2-3-5-12/h6,8,11-12,16,19H,2-5,7,9-10H2,1H3.
What are the key properties of 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63104653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).