4-oxo-1H-quinoline-2-carboxylate

C10H6NO3- — CID 6924655

IUPAC4-oxo-1H-quinoline-2-carboxylate
SMILESO=C([O-])c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/p-1
InChIKeyHCZHHEIFKROPDY-UHFFFAOYSA-M
MW188.16 g/mol
LogP-0.11
Rot. Bonds1

About 4-oxo-1H-quinoline-2-carboxylate

4-oxo-1H-quinoline-2-carboxylate (PubChem CID 6924655) has the molecular formula C10H6NO3- and a molecular weight of 188.16 g/mol. Its IUPAC name is 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Name4-oxo-1H-quinoline-2-carboxylate
PubChem CID6924655
Molecular FormulaC10H6NO3-
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name4-oxo-1H-quinoline-2-carboxylate
SMILESO=C([O-])c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/p-1
InChIKeyHCZHHEIFKROPDY-UHFFFAOYSA-M
XLogP-0.11
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of 4-oxo-1H-quinoline-2-carboxylate (CID 6924655) is 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for 4-oxo-1H-quinoline-2-carboxylate is O=C([O-])c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is HCZHHEIFKROPDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/p-1.
What are the key properties of 4-oxo-1H-quinoline-2-carboxylate?
4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 188.16 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 6924655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).