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

C13H17NO2 — CID 116964107

IUPAC6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(CO)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H17NO2/c1-2-9(8-15)10-3-5-12-11(7-10)4-6-13(16)14-12/h3,5,7,9,15H,2,4,6,8H2,1H3,(H,14,16)
InChIKeyYIUSODJBNGXIMX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.06
Rot. Bonds3

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

6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 116964107) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID116964107
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCC(CO)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H17NO2/c1-2-9(8-15)10-3-5-12-11(7-10)4-6-13(16)14-12/h3,5,7,9,15H,2,4,6,8H2,1H3,(H,14,16)
InChIKeyYIUSODJBNGXIMX-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921
6-(1-bromo-3-methylpentyl)-3,4-dihydro-1H-quinolin-2-one
CID 114876110
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 116859940
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
3-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82116150
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978
N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
CID 116845764
6-[1-(ethylamino)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490895

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one (CID 116964107) is 6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one is CCC(CO)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YIUSODJBNGXIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-9(8-15)10-3-5-12-11(7-10)4-6-13(16)14-12/h3,5,7,9,15H,2,4,6,8H2,1H3,(H,14,16).
What are the key properties of 6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 116964107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).