1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride

C10H8ClNO4 — CID 141163916

IUPAC1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cn(O)c2ccccc2c1=O
InChIInChI=1S/C10H7NO4.ClH/c12-9-6-3-1-2-4-8(6)11(15)5-7(9)10(13)14;/h1-5,15H,(H,13,14);1H
InChIKeyQCUCSYQMVMDIRT-UHFFFAOYSA-N
MW241.63 g/mol
LogP1.36
Rot. Bonds1

About 1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride

1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride (PubChem CID 141163916) has the molecular formula C10H8ClNO4 and a molecular weight of 241.63 g/mol. Its IUPAC name is 1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
PubChem CID141163916
Molecular FormulaC10H8ClNO4
Molecular Weight241.63 g/mol
Exact Mass241.01
IUPAC Name1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cn(O)c2ccccc2c1=O
InChIInChI=1S/C10H7NO4.ClH/c12-9-6-3-1-2-4-8(6)11(15)5-7(9)10(13)14;/h1-5,15H,(H,13,14);1H
InChIKeyQCUCSYQMVMDIRT-UHFFFAOYSA-N
XLogP1.36
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-1-(3,3,3-trifluoropropyl)quinoline-3-carboxylic acid
CID 64566721
1-(3-hydroxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 79354862
1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 91240711
1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 174428964
CID 159665167
CID 159665167
1-(3-methoxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 103034248
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595
6-fluoro-1,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
CID 118596050
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
1-[(2,5-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771887
1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532573
1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid
CID 175895920

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride (CID 141163916) is 1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cn(O)c2ccccc2c1=O.
What is the InChIKey of 1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is QCUCSYQMVMDIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4.ClH/c12-9-6-3-1-2-4-8(6)11(15)5-7(9)10(13)14;/h1-5,15H,(H,13,14);1H.
What are the key properties of 1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride?
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 241.63 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 141163916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).