4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid

C17H13N3O2 — CID 21352234

IUPAC4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(N/N=C/c2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H13N3O2/c21-17(22)13-5-7-15(8-6-13)20-19-11-12-9-14-3-1-2-4-16(14)18-10-12/h1-11,20H,(H,21,22)/b19-11+
InChIKeyZEWHAVOIXMCKLX-YBFXNURJSA-N
MW291.31 g/mol
LogP3.38
Rot. Bonds4

About 4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid

4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid (PubChem CID 21352234) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid
PubChem CID21352234
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(N/N=C/c2cnc3ccccc3c2)cc1
InChIInChI=1S/C17H13N3O2/c21-17(22)13-5-7-15(8-6-13)20-19-11-12-9-14-3-1-2-4-16(14)18-10-12/h1-11,20H,(H,21,22)/b19-11+
InChIKeyZEWHAVOIXMCKLX-YBFXNURJSA-N
XLogP3.38
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(quinoxalin-2-ylmethylidene)hydrazinyl]benzoic acid
CID 3363664
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
N-(2-phenylphenyl)-N'-(quinolin-3-ylmethylideneamino)oxamide
CID 3722369
1,2-bis[(E)-quinolin-3-ylmethylideneamino]guanidine
CID 127033481
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzoic acid
CID 3146680
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
CID 134838021
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
4-[(E)-[(4-carboxyphenyl)hydrazinylidene]methyl]-2,6-dimethylphenolate
CID 135692398
4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid
CID 9013174
4-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 2789686

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid (CID 21352234) is 4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid is O=C(O)c1ccc(N/N=C/c2cnc3ccccc3c2)cc1.
What is the InChIKey of 4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid?
The InChIKey is ZEWHAVOIXMCKLX-YBFXNURJSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(22)13-5-7-15(8-6-13)20-19-11-12-9-14-3-1-2-4-16(14)18-10-12/h1-11,20H,(H,21,22)/b19-11+.
What are the key properties of 4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid?
4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid has a molecular weight of 291.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 21352234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).