4-oxo-3H-quinoline-3-carboxylate

C10H6NO3- — CID 78349264

IUPAC4-oxo-3H-quinoline-3-carboxylate
SMILESO=C([O-])C1C=Nc2ccccc2C1=O
InChIInChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5,7H,(H,13,14)/p-1
InChIKeyYCAZALSUJDPQPP-UHFFFAOYSA-M
MW188.16 g/mol
LogP-0.05
Rot. Bonds1

About 4-oxo-3H-quinoline-3-carboxylate

4-oxo-3H-quinoline-3-carboxylate (PubChem CID 78349264) has the molecular formula C10H6NO3- and a molecular weight of 188.16 g/mol. Its IUPAC name is 4-oxo-3H-quinoline-3-carboxylate.

Molecular Properties

Compound Name4-oxo-3H-quinoline-3-carboxylate
PubChem CID78349264
Molecular FormulaC10H6NO3-
Molecular Weight188.16 g/mol
Exact Mass188.04
IUPAC Name4-oxo-3H-quinoline-3-carboxylate
SMILESO=C([O-])C1C=Nc2ccccc2C1=O
InChIInChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5,7H,(H,13,14)/p-1
InChIKeyYCAZALSUJDPQPP-UHFFFAOYSA-M
XLogP-0.05
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-oxo-3H-quinoline-3-carboxylic acid;sulfuric acid
CID 172691587
N-(2-methylphenyl)-4-oxo-3H-quinoline-3-carboxamide
CID 24869631
4-(oxomethylidene)-3H-quinoline-3-carboxylic acid
CID 156790403
N-[5-hydroxy-2,4-bis(trimethylsilyl)phenyl]-4-oxo-3H-quinoline-3-carboxamide
CID 171360559
4-oxo-3H-quinoline-3,6-dicarboxylic acid
CID 75682864
6-amino-4-oxo-3H-quinoline-3-carboxylic acid
CID 74635343
3-[(E)-2-phenylethenyl]-3H-quinolin-4-one
CID 134695074
(2Z)-2-indol-3-ylideneacetate
CID 154586201
sodium 3-oxo-1-benzothiophene-2-carboxylate
CID 23675899
ethyl 6-acetyl-4-oxo-3H-quinoline-3-carboxylate
CID 78205782
CID 164671221
CID 164671221
7-morpholin-4-yl-4-oxo-3H-quinoline-3-carboxylic acid
CID 67759753

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3H-quinoline-3-carboxylate?
The IUPAC name of 4-oxo-3H-quinoline-3-carboxylate (CID 78349264) is 4-oxo-3H-quinoline-3-carboxylate.
What is the SMILES notation for 4-oxo-3H-quinoline-3-carboxylate?
The canonical SMILES for 4-oxo-3H-quinoline-3-carboxylate is O=C([O-])C1C=Nc2ccccc2C1=O.
What is the InChIKey of 4-oxo-3H-quinoline-3-carboxylate?
The InChIKey is YCAZALSUJDPQPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5,7H,(H,13,14)/p-1.
What are the key properties of 4-oxo-3H-quinoline-3-carboxylate?
4-oxo-3H-quinoline-3-carboxylate has a molecular weight of 188.16 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3H-quinoline-3-carboxylate is sourced from PubChem (CID 78349264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).