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

C16H21NO2 — CID 83148581

IUPAC6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(C1CC1)C(O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C16H21NO2/c1-10(11-3-4-11)16(19)13-5-7-14-12(9-13)6-8-15(18)17(14)2/h5,7,9-11,16,19H,3-4,6,8H2,1-2H3
InChIKeyQQSOEUAOZLYZNZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.68
Rot. Bonds3

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

6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 83148581) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID83148581
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(C1CC1)C(O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C16H21NO2/c1-10(11-3-4-11)16(19)13-5-7-14-12(9-13)6-8-15(18)17(14)2/h5,7,9-11,16,19H,3-4,6,8H2,1-2H3
InChIKeyQQSOEUAOZLYZNZ-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.68
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-[cycloheptyl(hydroxy)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106320
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82124052
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
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-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107073
1-methyl-6-[1-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63105201
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 83148581) is 6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one is CC(C1CC1)C(O)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is QQSOEUAOZLYZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10(11-3-4-11)16(19)13-5-7-14-12(9-13)6-8-15(18)17(14)2/h5,7,9-11,16,19H,3-4,6,8H2,1-2H3.
What are the key properties of 6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-1-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 83148581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).