6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one

C12H15NO2 — CID 19854697

IUPAC6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H15NO2/c1-2-11(14)9-3-5-10-8(7-9)4-6-12(15)13-10/h3,5,7,11,14H,2,4,6H2,1H3,(H,13,15)
InChIKeyTXEKLBUUTWMRBY-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.01
Rot. Bonds2

About 6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one

6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 19854697) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID19854697
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H15NO2/c1-2-11(14)9-3-5-10-8(7-9)4-6-12(15)13-10/h3,5,7,11,14H,2,4,6H2,1H3,(H,13,15)
InChIKeyTXEKLBUUTWMRBY-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
6-(1-bromo-3-methylpentyl)-3,4-dihydro-1H-quinolin-2-one
CID 114876110
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087528
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one (CID 19854697) is 6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one is CCC(O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TXEKLBUUTWMRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-11(14)9-3-5-10-8(7-9)4-6-12(15)13-10/h3,5,7,11,14H,2,4,6H2,1H3,(H,13,15).
What are the key properties of 6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one?
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 19854697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).