6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one

C13H17NO2 — CID 117312742

IUPAC6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(C)(C)O)ccc21
InChIInChI=1S/C13H17NO2/c1-13(2,16)10-5-6-11-9(8-10)4-7-12(15)14(11)3/h5-6,8,16H,4,7H2,1-3H3
InChIKeyVJVVFOPWRVMTBD-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds1

About 6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one

6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 117312742) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID117312742
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(C)(C)O)ccc21
InChIInChI=1S/C13H17NO2/c1-13(2,16)10-5-6-11-9(8-10)4-7-12(15)14(11)3/h5-6,8,16H,4,7H2,1-3H3
InChIKeyVJVVFOPWRVMTBD-UHFFFAOYSA-N
XLogP1.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-hydroxypropan-2-yl)-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-(2-amino-1,1-difluoro-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116839401
3-methyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butanoic acid
CID 79829837
6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116928650
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 82485649
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
6-[(1-amino-2-methylpropan-2-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 115131631
7-hydroxy-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 83853018
1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one
CID 159673428
6-(2-hydroxypropan-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 117315574
1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 116932140

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one (CID 117312742) is 6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(C)(C)O)ccc21.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is VJVVFOPWRVMTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,16)10-5-6-11-9(8-10)4-7-12(15)14(11)3/h5-6,8,16H,4,7H2,1-3H3.
What are the key properties of 6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 117312742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).