7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one

C13H17NO2 — CID 117312766

IUPAC7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(CO)c1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C13H17NO2/c1-13(2,8-15)10-5-3-9-4-6-12(16)14-11(9)7-10/h3,5,7,15H,4,6,8H2,1-2H3,(H,14,16)
InChIKeyKNLQUSKHVIOFDJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.84
Rot. Bonds2

About 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one

7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 117312766) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID117312766
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(CO)c1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C13H17NO2/c1-13(2,8-15)10-5-3-9-4-6-12(16)14-11(9)7-10/h3,5,7,15H,4,6,8H2,1-2H3,(H,14,16)
InChIKeyKNLQUSKHVIOFDJ-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
N-[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]acetamide
CID 115191431
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
[2-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propyl]urea
CID 115168783
6-[2-methyl-1-(sulfanylmethylamino)propan-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115228559
7-(4-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 129209031
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115133448
5-[1-(hydroxymethylamino)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 115229633
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263
7-(aminomethyl)-3,4-dihydro-1H-quinolin-2-one;5,5-dimethylhexanoic acid;sulfanol
CID 170973995
2-(3,4-dihydro-1H-isochromen-7-yl)-2-methylpropan-1-ol
CID 117295105

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one (CID 117312766) is 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one is CC(C)(CO)c1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KNLQUSKHVIOFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,8-15)10-5-3-9-4-6-12(16)14-11(9)7-10/h3,5,7,15H,4,6,8H2,1-2H3,(H,14,16).
What are the key properties of 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxy-2-methylpropan-2-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 117312766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).