2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride

C10H8ClNO3 — CID 57457169

IUPAC2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C10H7NO3.ClH/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9;/h1-5H,(H,11,12)(H,13,14);1H
InChIKeyHJBIXRKZHZQGKZ-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.65
Rot. Bonds1

About 2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride

2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride (PubChem CID 57457169) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride
PubChem CID57457169
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C10H7NO3.ClH/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9;/h1-5H,(H,11,12)(H,13,14);1H
InChIKeyHJBIXRKZHZQGKZ-UHFFFAOYSA-N
XLogP1.65
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride (CID 57457169) is 2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride?
The InChIKey is HJBIXRKZHZQGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.ClH/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9;/h1-5H,(H,11,12)(H,13,14);1H.
What are the key properties of 2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride?
2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride has a molecular weight of 225.63 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-quinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 57457169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).