6-amino-2-oxo-1H-quinoline-5-carboxylic acid

C10H8N2O3 — CID 63240224

IUPAC6-amino-2-oxo-1H-quinoline-5-carboxylic acid
SMILESNc1ccc2[nH]c(=O)ccc2c1C(=O)O
InChIInChI=1S/C10H8N2O3/c11-6-2-3-7-5(9(6)10(14)15)1-4-8(13)12-7/h1-4H,11H2,(H,12,13)(H,14,15)
InChIKeyOVYRFXVXPBKGJP-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.81
Rot. Bonds1

About 6-amino-2-oxo-1H-quinoline-5-carboxylic acid

6-amino-2-oxo-1H-quinoline-5-carboxylic acid (PubChem CID 63240224) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 6-amino-2-oxo-1H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-oxo-1H-quinoline-5-carboxylic acid
PubChem CID63240224
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name6-amino-2-oxo-1H-quinoline-5-carboxylic acid
SMILESNc1ccc2[nH]c(=O)ccc2c1C(=O)O
InChIInChI=1S/C10H8N2O3/c11-6-2-3-7-5(9(6)10(14)15)1-4-8(13)12-7/h1-4H,11H2,(H,12,13)(H,14,15)
InChIKeyOVYRFXVXPBKGJP-UHFFFAOYSA-N
XLogP0.81
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-oxo-1H-quinoline-5-carboxylic acid?
The IUPAC name of 6-amino-2-oxo-1H-quinoline-5-carboxylic acid (CID 63240224) is 6-amino-2-oxo-1H-quinoline-5-carboxylic acid.
What is the SMILES notation for 6-amino-2-oxo-1H-quinoline-5-carboxylic acid?
The canonical SMILES for 6-amino-2-oxo-1H-quinoline-5-carboxylic acid is Nc1ccc2[nH]c(=O)ccc2c1C(=O)O.
What is the InChIKey of 6-amino-2-oxo-1H-quinoline-5-carboxylic acid?
The InChIKey is OVYRFXVXPBKGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-6-2-3-7-5(9(6)10(14)15)1-4-8(13)12-7/h1-4H,11H2,(H,12,13)(H,14,15).
What are the key properties of 6-amino-2-oxo-1H-quinoline-5-carboxylic acid?
6-amino-2-oxo-1H-quinoline-5-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-oxo-1H-quinoline-5-carboxylic acid is sourced from PubChem (CID 63240224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).