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

C19H14N2O3 — CID 70597334

IUPAC2-oxo-1H-quinoline-3-carboxylic acid;quinoline
SMILESO=C(O)c1cc2ccccc2[nH]c1=O.c1ccc2ncccc2c1
InChIInChI=1S/C10H7NO3.C9H7N/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9;1-2-6-9-8(4-1)5-3-7-10-9/h1-5H,(H,11,12)(H,13,14);1-7H
InChIKeyIKPRVFXMTRIZLQ-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.46
Rot. Bonds1

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

2-oxo-1H-quinoline-3-carboxylic acid;quinoline (PubChem CID 70597334) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-oxo-1H-quinoline-3-carboxylic acid;quinoline.

Molecular Properties

Compound Name2-oxo-1H-quinoline-3-carboxylic acid;quinoline
PubChem CID70597334
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-oxo-1H-quinoline-3-carboxylic acid;quinoline
SMILESO=C(O)c1cc2ccccc2[nH]c1=O.c1ccc2ncccc2c1
InChIInChI=1S/C10H7NO3.C9H7N/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9;1-2-6-9-8(4-1)5-3-7-10-9/h1-5H,(H,11,12)(H,13,14);1-7H
InChIKeyIKPRVFXMTRIZLQ-UHFFFAOYSA-N
XLogP3.46
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;quinoline
CID 23206844
pyridine-2,3-dicarboxylic acid;quinoline
CID 158705620
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
acetic acid;quinoline
CID 67159702
CID 174778702
CID 174778702
2-(1H-indole-2-carbonyl)pyridine-3-carboxylic acid
CID 14398692
2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N,N-dimethyl-2-oxo-1H-quinoline-3-carboxamide
CID 14117619
quinoline
CID 76974643
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613303

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-quinoline-3-carboxylic acid;quinoline?
The IUPAC name of 2-oxo-1H-quinoline-3-carboxylic acid;quinoline (CID 70597334) is 2-oxo-1H-quinoline-3-carboxylic acid;quinoline.
What is the SMILES notation for 2-oxo-1H-quinoline-3-carboxylic acid;quinoline?
The canonical SMILES for 2-oxo-1H-quinoline-3-carboxylic acid;quinoline is O=C(O)c1cc2ccccc2[nH]c1=O.c1ccc2ncccc2c1.
What is the InChIKey of 2-oxo-1H-quinoline-3-carboxylic acid;quinoline?
The InChIKey is IKPRVFXMTRIZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.C9H7N/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9;1-2-6-9-8(4-1)5-3-7-10-9/h1-5H,(H,11,12)(H,13,14);1-7H.
What are the key properties of 2-oxo-1H-quinoline-3-carboxylic acid;quinoline?
2-oxo-1H-quinoline-3-carboxylic acid;quinoline has a molecular weight of 318.33 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-quinoline-3-carboxylic acid;quinoline is sourced from PubChem (CID 70597334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).