4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid

C19H12N4O3 — CID 135974904

IUPAC4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c(=O)c1/N=N/c1ccc2ccccc2n1
InChIInChI=1S/C19H12N4O3/c24-18-12-6-2-4-8-14(12)21-17(19(25)26)16(18)23-22-15-10-9-11-5-1-3-7-13(11)20-15/h1-10H,(H,21,24)(H,25,26)/b23-22+
InChIKeyZKASNICKNPEQFF-GHVJWSGMSA-N
MW344.33 g/mol
LogP4.19
Rot. Bonds3

About 4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid

4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid (PubChem CID 135974904) has the molecular formula C19H12N4O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid
PubChem CID135974904
Molecular FormulaC19H12N4O3
Molecular Weight344.33 g/mol
Exact Mass344.09
IUPAC Name4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c(=O)c1/N=N/c1ccc2ccccc2n1
InChIInChI=1S/C19H12N4O3/c24-18-12-6-2-4-8-14(12)21-17(19(25)26)16(18)23-22-15-10-9-11-5-1-3-7-13(11)20-15/h1-10H,(H,21,24)(H,25,26)/b23-22+
InChIKeyZKASNICKNPEQFF-GHVJWSGMSA-N
XLogP4.19
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid
CID 135974865
3-[(3-cyanophenyl)diazenyl]-4-oxo-1H-quinoline-2-carboxylic acid
CID 136638331
N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
CID 821634
10H-acridin-9-one;2-methylquinoline;naphthalene-2-sulfonic acid
CID 174407426
3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
2-quinolin-2-ylguanidine;2,2,2-trifluoroacetic acid
CID 56956854
10H-acridin-9-one
CID 22753806
10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid
CID 174480107
3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline
CID 170553291
2-(quinoline-2-carbonyl)-3H-quinazolin-4-one
CID 137019869
3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid;6-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
CID 174619588
copper;quinoline-2-carboxylic acid
CID 68537473

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid?
The IUPAC name of 4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid (CID 135974904) is 4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid is O=C(O)c1[nH]c2ccccc2c(=O)c1/N=N/c1ccc2ccccc2n1.
What is the InChIKey of 4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid?
The InChIKey is ZKASNICKNPEQFF-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H12N4O3/c24-18-12-6-2-4-8-14(12)21-17(19(25)26)16(18)23-22-15-10-9-11-5-1-3-7-13(11)20-15/h1-10H,(H,21,24)(H,25,26)/b23-22+.
What are the key properties of 4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid?
4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid has a molecular weight of 344.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-(quinolin-2-yldiazenyl)-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 135974904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).