4-(quinolin-4-ylmethyldiazenyl)benzoic acid

C17H13N3O2 — CID 91212564

IUPAC4-(quinolin-4-ylmethyldiazenyl)benzoic acid
SMILESO=C(O)c1ccc(/N=N/Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C17H13N3O2/c21-17(22)12-5-7-14(8-6-12)20-19-11-13-9-10-18-16-4-2-1-3-15(13)16/h1-10H,11H2,(H,21,22)/b20-19+
InChIKeyPQWLIHAUWBKNNN-FMQUCBEESA-N
MW291.31 g/mol
LogP4.22
Rot. Bonds4

About 4-(quinolin-4-ylmethyldiazenyl)benzoic acid

4-(quinolin-4-ylmethyldiazenyl)benzoic acid (PubChem CID 91212564) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(quinolin-4-ylmethyldiazenyl)benzoic acid.

Molecular Properties

Compound Name4-(quinolin-4-ylmethyldiazenyl)benzoic acid
PubChem CID91212564
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-(quinolin-4-ylmethyldiazenyl)benzoic acid
SMILESO=C(O)c1ccc(/N=N/Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C17H13N3O2/c21-17(22)12-5-7-14(8-6-12)20-19-11-13-9-10-18-16-4-2-1-3-15(13)16/h1-10H,11H2,(H,21,22)/b20-19+
InChIKeyPQWLIHAUWBKNNN-FMQUCBEESA-N
XLogP4.22
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-chloro-4-(quinolin-4-ylmethyl)benzoic acid
CID 81294252
4-(quinolin-6-ylmethyldiazenyl)benzoic acid
CID 91899522
4-phenyldiazenylbenzoic acid
CID 15276
1-quinolin-4-ylbutan-2-one
CID 15695851
4-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyldiazenyl]benzoic acid
CID 91898178
benzyl(quinazolin-4-yl)diazene
CID 91896863
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
1-(4-iodophenyl)-2-quinolin-4-ylethanone
CID 114979738
4-[(E)-C-methyl-N-(quinolin-4-ylamino)carbonimidoyl]benzoic acid
CID 167909211
4-[(4-propan-2-ylphenyl)methyldiazenyl]benzoic acid
CID 91897533
2-methyl-2-(quinolin-4-ylmethylamino)butanoic acid
CID 79791371
3-quinolin-4-ylpropan-1-ol
CID 21218471

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-4-ylmethyldiazenyl)benzoic acid?
The IUPAC name of 4-(quinolin-4-ylmethyldiazenyl)benzoic acid (CID 91212564) is 4-(quinolin-4-ylmethyldiazenyl)benzoic acid.
What is the SMILES notation for 4-(quinolin-4-ylmethyldiazenyl)benzoic acid?
The canonical SMILES for 4-(quinolin-4-ylmethyldiazenyl)benzoic acid is O=C(O)c1ccc(/N=N/Cc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-(quinolin-4-ylmethyldiazenyl)benzoic acid?
The InChIKey is PQWLIHAUWBKNNN-FMQUCBEESA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(22)12-5-7-14(8-6-12)20-19-11-13-9-10-18-16-4-2-1-3-15(13)16/h1-10H,11H2,(H,21,22)/b20-19+.
What are the key properties of 4-(quinolin-4-ylmethyldiazenyl)benzoic acid?
4-(quinolin-4-ylmethyldiazenyl)benzoic acid has a molecular weight of 291.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-4-ylmethyldiazenyl)benzoic acid is sourced from PubChem (CID 91212564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).