5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one

C12H15NO3 — CID 70399576

IUPAC5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(O)COc1cccc2c1CCC(=O)N2
InChIInChI=1S/C12H15NO3/c1-8(14)7-16-11-4-2-3-10-9(11)5-6-12(15)13-10/h2-4,8,14H,5-7H2,1H3,(H,13,15)
InChIKeyROSHMZVGTIVTDE-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.33
Rot. Bonds3

About 5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one

5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 70399576) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID70399576
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(O)COc1cccc2c1CCC(=O)N2
InChIInChI=1S/C12H15NO3/c1-8(14)7-16-11-4-2-3-10-9(11)5-6-12(15)13-10/h2-4,8,14H,5-7H2,1H3,(H,13,15)
InChIKeyROSHMZVGTIVTDE-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 143124186
benzoic acid;5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 170341081
5-[3-(cyclohexylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 3040189
6-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20531643
5-[3-(ditert-butylamino)-2-[(2-methylpropan-2-yl)oxy]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 140944942
5-[3-(tert-butylamino)-1,1,2,3,3-pentadeuterio-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46780194
ethyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]butanoate
CID 12821844
methyl N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate
CID 15677015
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14750950
tris(5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one);tris[2-(4-carboxyphenoxy)ethyl]-methylazanium;chloride
CID 44818067
6-(2-amino-2-hydroxy-5,6-dimethylheptoxy)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20531652
(2-hydroxy-2-methylpropyl) N-[1-[2-hydroxy-3-[(2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]piperidin-4-yl]carbamate;hydrochloride
CID 19913805

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one (CID 70399576) is 5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one is CC(O)COc1cccc2c1CCC(=O)N2.
What is the InChIKey of 5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ROSHMZVGTIVTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(14)7-16-11-4-2-3-10-9(11)5-6-12(15)13-10/h2-4,8,14H,5-7H2,1H3,(H,13,15).
What are the key properties of 5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70399576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).