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

C17H13N3O2 — CID 20846182

IUPAC2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1N/N=C/c1ccnc2ccccc12
InChIInChI=1S/C17H13N3O2/c21-17(22)14-6-2-4-8-16(14)20-19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-11,20H,(H,21,22)/b19-11+
InChIKeyNAYLNSUNMCXVMP-YBFXNURJSA-N
MW291.31 g/mol
LogP3.38
Rot. Bonds4

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

2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid (PubChem CID 20846182) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
PubChem CID20846182
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1N/N=C/c1ccnc2ccccc12
InChIInChI=1S/C17H13N3O2/c21-17(22)14-6-2-4-8-16(14)20-19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-11,20H,(H,21,22)/b19-11+
InChIKeyNAYLNSUNMCXVMP-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': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
CID 45327399
4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
CID 7732012
2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 5136185
methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
CID 5354484
N-(quinolin-4-ylmethylideneamino)formamide
CID 73233132
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841262
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
2-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-quinolin-4-ylmethylidene]hydrazinyl]benzoic acid
CID 5358953
2-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]benzenesulfonate
CID 142408404
3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
CID 135406957
N-[(E)-(2-fluorophenyl)methylideneamino]quinolin-4-amine
CID 45481082
3-(furan-2-yl)-N-(quinolin-4-ylmethylideneamino)prop-2-enamide
CID 6734706

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid (CID 20846182) is 2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid is O=C(O)c1ccccc1N/N=C/c1ccnc2ccccc12.
What is the InChIKey of 2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid?
The InChIKey is NAYLNSUNMCXVMP-YBFXNURJSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(22)14-6-2-4-8-16(14)20-19-11-12-9-10-18-15-7-3-1-5-13(12)15/h1-11,20H,(H,21,22)/b19-11+.
What are the key properties of 2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid?
2-[(2E)-2-(quinolin-4-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 2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 20846182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).