2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid

C24H17N5O4 — CID 5358953

IUPAC2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1/N=N/C(=N/Nc1ccccc1C(=O)O)c1ccnc2ccccc12
InChIInChI=1S/C24H17N5O4/c30-23(31)17-8-2-5-11-20(17)26-28-22(16-13-14-25-19-10-4-1-7-15(16)19)29-27-21-12-6-3-9-18(21)24(32)33/h1-14,26H,(H,30,31)(H,32,33)/b28-22+,29-27+
InChIKeyIUTMHRDDOZEMKA-YTIFLZEHSA-N
MW439.43 g/mol
LogP5.19
Rot. Bonds6

About 2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid

2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid (PubChem CID 5358953) has the molecular formula C24H17N5O4 and a molecular weight of 439.43 g/mol. Its IUPAC name is 2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid
PubChem CID5358953
Molecular FormulaC24H17N5O4
Molecular Weight439.43 g/mol
Exact Mass439.13
IUPAC Name2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1/N=N/C(=N/Nc1ccccc1C(=O)O)c1ccnc2ccccc12
InChIInChI=1S/C24H17N5O4/c30-23(31)17-8-2-5-11-20(17)26-28-22(16-13-14-25-19-10-4-1-7-15(16)19)29-27-21-12-6-3-9-18(21)24(32)33/h1-14,26H,(H,30,31)(H,32,33)/b28-22+,29-27+
InChIKeyIUTMHRDDOZEMKA-YTIFLZEHSA-N
XLogP5.19
TPSA136.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.43
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-[(2Z)-2-[2-amino-1-[(2-carboxyphenyl)diazenyl]-2-oxoethylidene]hydrazinyl]benzoic acid
CID 6069703
2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
CID 20846182
2-[[C-acetyl-N-(2-hydroxyanilino)carbonimidoyl]diazenyl]benzoic acid
CID 137207526
CID 162394261
CID 162394261
4-[(E)-C-methyl-N-(quinolin-4-ylamino)carbonimidoyl]benzoic acid
CID 167909211
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
2-(quinolin-4-ylamino)benzamide;dihydrochloride
CID 143657459
3-(quinolin-5-ylamino)pyridine-4-carboxylic acid
CID 105062537
2-hydroxy-1-quinolin-4-ylpropan-1-one
CID 175106314
N'-anilino-N-naphthalen-1-yliminopyridine-2-carboximidamide
CID 70387790
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388
N-(2-cyanopropan-2-yl)quinoline-4-carboxamide
CID 113224905

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid (CID 5358953) is 2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid is O=C(O)c1ccccc1/N=N/C(=N/Nc1ccccc1C(=O)O)c1ccnc2ccccc12.
What is the InChIKey of 2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid?
The InChIKey is IUTMHRDDOZEMKA-YTIFLZEHSA-N. The full InChI is InChI=1S/C24H17N5O4/c30-23(31)17-8-2-5-11-20(17)26-28-22(16-13-14-25-19-10-4-1-7-15(16)19)29-27-21-12-6-3-9-18(21)24(32)33/h1-14,26H,(H,30,31)(H,32,33)/b28-22+,29-27+.
What are the key properties of 2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid?
2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid has a molecular weight of 439.43 g/mol, XLogP of 5.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 5358953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).