8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one

C12H13NO3 — CID 143600392

IUPAC8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
SMILESCC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C12H13NO3/c1-2-9(14)7-3-5-10(15)12-8(7)4-6-11(16)13-12/h3-6,9,14-15H,2H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyRQFZHVPBSZXUHK-VIFPVBQESA-N
MW219.24 g/mol
LogP1.68
Rot. Bonds2

About 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one

8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one (PubChem CID 143600392) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
PubChem CID143600392
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
SMILESCC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C12H13NO3/c1-2-9(14)7-3-5-10(15)12-8(7)4-6-11(16)13-12/h3-6,9,14-15H,2H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyRQFZHVPBSZXUHK-VIFPVBQESA-N
XLogP1.68
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
CID 688561
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 91244472
bis(8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one);hydrate;dihydrochloride
CID 66958037
[(1R,2S)-1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)butan-2-yl]-propan-2-ylazanium
CID 6921794
5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
CID 70411670
8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one;sulfuric acid
CID 70362996
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 10827434
5-[2-[(4,7-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 16738802
5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 122698087
5-(1-hydroxypropyl)-6-methyl-1H-pyridin-2-one
CID 102546387
8-hydroxy-5-[(1R)-1-hydroxy-2-(2-phenylethylamino)ethyl]-1H-quinolin-2-one
CID 140957131

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one (CID 143600392) is 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one is CC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one?
The InChIKey is RQFZHVPBSZXUHK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-9(14)7-3-5-10(15)12-8(7)4-6-11(16)13-12/h3-6,9,14-15H,2H2,1H3,(H,13,16)/t9-/m0/s1.
What are the key properties of 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one?
8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one is sourced from PubChem (CID 143600392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).