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

C18H25NO2 — CID 63106693

IUPAC6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)CCC3CCCC3)ccc21
InChIInChI=1S/C18H25NO2/c1-19-16-9-7-15(12-14(16)8-11-18(19)21)17(20)10-6-13-4-2-3-5-13/h7,9,12-13,17,20H,2-6,8,10-11H2,1H3
InChIKeyPDHGRJLOIBZRQI-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.60
Rot. Bonds4

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

6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63106693) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63106693
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(O)CCC3CCCC3)ccc21
InChIInChI=1S/C18H25NO2/c1-19-16-9-7-15(12-14(16)8-11-18(19)21)17(20)10-6-13-4-2-3-5-13/h7,9,12-13,17,20H,2-6,8,10-11H2,1H3
InChIKeyPDHGRJLOIBZRQI-UHFFFAOYSA-N
XLogP3.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-cyclopentyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104653
6-(2-cyclopropyl-1-hydroxyethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107261
6-(1-hydroxybutyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63106881
6-(1,3-dihydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82291111
6-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106320
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107073
6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 83148581
6-[1-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 13064851
5-[1-hydroxy-3-(oxolan-2-yl)propyl]-1-methyl-3H-indol-2-one
CID 65160268
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 63106693) is 6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(O)CCC3CCCC3)ccc21.
What is the InChIKey of 6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is PDHGRJLOIBZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-19-16-9-7-15(12-14(16)8-11-18(19)21)17(20)10-6-13-4-2-3-5-13/h7,9,12-13,17,20H,2-6,8,10-11H2,1H3.
What are the key properties of 6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 287.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopentyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63106693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).