2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one

C13H13NO2 — CID 103446227

IUPAC2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
SMILESCC(C)(O)C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C13H13NO2/c1-13(2,16)12(15)10-7-9-5-3-4-6-11(9)14-8-10/h3-8,16H,1-2H3
InChIKeyPJOYOQJWHQSYDG-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.19
Rot. Bonds2

About 2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one

2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one (PubChem CID 103446227) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
PubChem CID103446227
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
SMILESCC(C)(O)C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C13H13NO2/c1-13(2,16)12(15)10-7-9-5-3-4-6-11(9)14-8-10/h3-8,16H,1-2H3
InChIKeyPJOYOQJWHQSYDG-UHFFFAOYSA-N
XLogP2.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
quinoline-3-carboxamide;hydrofluoride
CID 174911514
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
quinoline-3-carboxylate
CID 4608508
2,2-dimethyl-1-quinolin-3-ylpropane-1-thione
CID 134309815
2,2-dimethyl-1-quinolin-3-ylpropan-1-one;2-(2-methylpropyl)naphthalene
CID 159124512
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
(E)-2-quinolin-3-ylbut-2-enamide
CID 174944026
3-buta-2,3-dien-2-ylquinoline
CID 142698534
2-quinolin-3-ylprop-2-enoyl chloride;hydrochloride
CID 19079187
2,3-dihydro-1H-inden-2-yl(quinolin-3-yl)methanone
CID 65406841

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one (CID 103446227) is 2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one is CC(C)(O)C(=O)c1cnc2ccccc2c1.
What is the InChIKey of 2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one?
The InChIKey is PJOYOQJWHQSYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-13(2,16)12(15)10-7-9-5-3-4-6-11(9)14-8-10/h3-8,16H,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one?
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one has a molecular weight of 215.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one is sourced from PubChem (CID 103446227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).