5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one

C9H8ClNO2 — CID 134104622

IUPAC5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2c(Cl)cccc2N1O
InChIInChI=1S/C9H8ClNO2/c10-7-2-1-3-8-6(7)4-5-9(12)11(8)13/h1-3,13H,4-5H2
InChIKeyMNEFPFRNNHZAGF-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.01
Rot. Bonds

About 5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one

5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 134104622) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID134104622
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2c(Cl)cccc2N1O
InChIInChI=1S/C9H8ClNO2/c10-7-2-1-3-8-6(7)4-5-9(12)11(8)13/h1-3,13H,4-5H2
InChIKeyMNEFPFRNNHZAGF-UHFFFAOYSA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze 5-chloro-1-hydroxy-3,4-dihydroquinolin-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-chloro-4-hydroxy-1,4-benzoxazin-3-one
CID 3008085
7-chloro-5,6-dihydropyrrolo[1,2-a][1]benzazepin-4-one
CID 86108120
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
(1-aminocyclopropyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788748
1-(4-chloro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone
CID 119788770
tetrakis(1-hydroxypyrrolidine-2,5-dione);λ2-stannane
CID 173205649
azane;1-hydroxypyrrolidine-2,5-dione
CID 11073454
(3aR,5S,6S,7aR)-5,6-dibromo-2-(2,3-dichlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98338104
5-tert-butyl-1-propan-2-yl-3,4-dihydroquinolin-2-one
CID 170270915
(3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one
CID 59465791
(3aR,5R,6S,7aR)-5,6-dibromo-2-(2-chlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7115541
5-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382679

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one (CID 134104622) is 5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one is O=C1CCc2c(Cl)cccc2N1O.
What is the InChIKey of 5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is MNEFPFRNNHZAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-7-2-1-3-8-6(7)4-5-9(12)11(8)13/h1-3,13H,4-5H2.
What are the key properties of 5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one?
5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 197.62 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 134104622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).