6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one

C14H19NO2 — CID 116928650

IUPAC6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CC(C)(C)O)ccc21
InChIInChI=1S/C14H19NO2/c1-14(2,17)9-10-4-6-12-11(8-10)5-7-13(16)15(12)3/h4,6,8,17H,5,7,9H2,1-3H3
InChIKeyITSGNSVSYYTIIV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.91
Rot. Bonds2

About 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 116928650) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID116928650
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(CC(C)(C)O)ccc21
InChIInChI=1S/C14H19NO2/c1-14(2,17)9-10-4-6-12-11(8-10)5-7-13(16)15(12)3/h4,6,8,17H,5,7,9H2,1-3H3
InChIKeyITSGNSVSYYTIIV-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 116932140
6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 82485649
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82116153
2-methyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methylamino]propanenitrile
CID 115129291
2,2-dimethyl-N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]propanamide
CID 110788697
3,3-dimethyl-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanoic acid
CID 63106686
N-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]butanamide
CID 110781637
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
6-(2-aminopropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82190766
6-[2-(hydroxymethylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 115229304

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 116928650) is 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(CC(C)(C)O)ccc21.
What is the InChIKey of 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ITSGNSVSYYTIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,17)9-10-4-6-12-11(8-10)5-7-13(16)15(12)3/h4,6,8,17H,5,7,9H2,1-3H3.
What are the key properties of 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 116928650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).