4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid

C19H12N4O3 — CID 135974865

IUPAC4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c(=O)c1/N=N/c1ccc2ncccc2c1
InChIInChI=1S/C19H12N4O3/c24-18-13-5-1-2-6-15(13)21-17(19(25)26)16(18)23-22-12-7-8-14-11(10-12)4-3-9-20-14/h1-10H,(H,21,24)(H,25,26)/b23-22+
InChIKeyWIQUPXXYDROKAO-GHVJWSGMSA-N
MW344.33 g/mol
LogP4.19
Rot. Bonds3

About 4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid

4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid (PubChem CID 135974865) has the molecular formula C19H12N4O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid
PubChem CID135974865
Molecular FormulaC19H12N4O3
Molecular Weight344.33 g/mol
Exact Mass344.09
IUPAC Name4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c(=O)c1/N=N/c1ccc2ncccc2c1
InChIInChI=1S/C19H12N4O3/c24-18-13-5-1-2-6-15(13)21-17(19(25)26)16(18)23-22-12-7-8-14-11(10-12)4-3-9-20-14/h1-10H,(H,21,24)(H,25,26)/b23-22+
InChIKeyWIQUPXXYDROKAO-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-2-yldiazenyl)-1H-quinoline-2-carboxylic acid
CID 135974904
3-[(3-cyanophenyl)diazenyl]-4-oxo-1H-quinoline-2-carboxylic acid
CID 136638331
3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid
CID 71545646
3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline
CID 170553291
2-oxo-1H-quinoline-3-carboxylic acid;quinoline
CID 70597334
1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine
CID 3742458
2-methyl-N-quinolin-6-yl-1H-indole-3-carboxamide
CID 60555892
phenyl(quinolin-7-yl)diazene
CID 555553
3-(quinolin-8-ylsulfonylamino)-1H-indole-2-carboxylic acid
CID 91569703
ethane;quinoline-6-carboxylic acid
CID 91364452
4-(quinolin-6-ylmethyldiazenyl)benzoic acid
CID 91899522
carbonic acid;quinoline
CID 23206844

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid?
The IUPAC name of 4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid (CID 135974865) is 4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid is O=C(O)c1[nH]c2ccccc2c(=O)c1/N=N/c1ccc2ncccc2c1.
What is the InChIKey of 4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid?
The InChIKey is WIQUPXXYDROKAO-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H12N4O3/c24-18-13-5-1-2-6-15(13)21-17(19(25)26)16(18)23-22-12-7-8-14-11(10-12)4-3-9-20-14/h1-10H,(H,21,24)(H,25,26)/b23-22+.
What are the key properties of 4-oxo-3-(quinolin-6-yldiazenyl)-1H-quinoline-2-carboxylic acid?
4-oxo-3-(quinolin-6-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-6-yldiazenyl)-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 135974865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).