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

C9H8ClNO2 — CID 13220468

IUPAC3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESO=C1C(Cl)Cc2ccccc2N1O
InChIInChI=1S/C9H8ClNO2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5H2
InChIKeyZRPSLRYEXRJMSR-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.57
Rot. Bonds

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

3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one (PubChem CID 13220468) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
PubChem CID13220468
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one
SMILESO=C1C(Cl)Cc2ccccc2N1O
InChIInChI=1S/C9H8ClNO2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5H2
InChIKeyZRPSLRYEXRJMSR-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-3-propyl-3,4-dihydroquinolin-2-one
CID 119085152
1,2-dichloro-2,3-dihydroindole
CID 88619979
2-chloro-4-hydroxy-1,4-benzothiazin-3-one
CID 10059146
1,2,3a,4-tetrahydropyrrolo[1,2-a]indol-3-one
CID 167313251
2-[2-(1,3-dioxo-3a,4,9,9a-tetrahydrobenzo[f]isoindol-2-yl)phenyl]-3a,4,9,9a-tetrahydrobenzo[f]isoindole-1,3-dione
CID 118651397
3-chloro-1-phenyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 19920996
2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione
CID 62699680
1-amino-3a,4-dihydroimidazo[1,5-a]indol-3-one
CID 83137788
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
(3R)-3-amino-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 69196199
ethane;1,3,4-trimethyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 123732001
(3S)-1-hydroxy-3,4-dihydro-2H-quinolin-3-amine
CID 56971695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one (CID 13220468) is 3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one is O=C1C(Cl)Cc2ccccc2N1O.
What is the InChIKey of 3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one?
The InChIKey is ZRPSLRYEXRJMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5H2.
What are the key properties of 3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one?
3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one has a molecular weight of 197.62 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-hydroxy-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 13220468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).