4-oxo-1H-quinoline-2-carboxylic acid;hydrate

C10H9NO4 — CID 18530299

IUPAC4-oxo-1H-quinoline-2-carboxylic acid;hydrate
SMILESO.O=C(O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C10H7NO3.H2O/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;/h1-5H,(H,11,12)(H,13,14);1H2
InChIKeyWZQSVWRLXGIOBK-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.40
Rot. Bonds1

About 4-oxo-1H-quinoline-2-carboxylic acid;hydrate

4-oxo-1H-quinoline-2-carboxylic acid;hydrate (PubChem CID 18530299) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-oxo-1H-quinoline-2-carboxylic acid;hydrate.

Molecular Properties

Compound Name4-oxo-1H-quinoline-2-carboxylic acid;hydrate
PubChem CID18530299
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name4-oxo-1H-quinoline-2-carboxylic acid;hydrate
SMILESO.O=C(O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C10H7NO3.H2O/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;/h1-5H,(H,11,12)(H,13,14);1H2
InChIKeyWZQSVWRLXGIOBK-UHFFFAOYSA-N
XLogP0.40
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1H-quinoline-2-carboxylic acid;hydrate?
The IUPAC name of 4-oxo-1H-quinoline-2-carboxylic acid;hydrate (CID 18530299) is 4-oxo-1H-quinoline-2-carboxylic acid;hydrate.
What is the SMILES notation for 4-oxo-1H-quinoline-2-carboxylic acid;hydrate?
The canonical SMILES for 4-oxo-1H-quinoline-2-carboxylic acid;hydrate is O.O=C(O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 4-oxo-1H-quinoline-2-carboxylic acid;hydrate?
The InChIKey is WZQSVWRLXGIOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.H2O/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9;/h1-5H,(H,11,12)(H,13,14);1H2.
What are the key properties of 4-oxo-1H-quinoline-2-carboxylic acid;hydrate?
4-oxo-1H-quinoline-2-carboxylic acid;hydrate has a molecular weight of 207.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1H-quinoline-2-carboxylic acid;hydrate is sourced from PubChem (CID 18530299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).