3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid

C16H12N4O2 — CID 71344750

IUPAC3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
SMILESNc1ccc(/N=N/c2cccc(C(=O)O)c2)c2cccnc12
InChIInChI=1S/C16H12N4O2/c17-13-6-7-14(12-5-2-8-18-15(12)13)20-19-11-4-1-3-10(9-11)16(21)22/h1-9H,17H2,(H,21,22)/b20-19+
InChIKeyNQSMZHZUDKMWOT-FMQUCBEESA-N
MW292.30 g/mol
LogP3.93
Rot. Bonds3

About 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid

3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid (PubChem CID 71344750) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
PubChem CID71344750
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
SMILESNc1ccc(/N=N/c2cccc(C(=O)O)c2)c2cccnc12
InChIInChI=1S/C16H12N4O2/c17-13-6-7-14(12-5-2-8-18-15(12)13)20-19-11-4-1-3-10(9-11)16(21)22/h1-9H,17H2,(H,21,22)/b20-19+
InChIKeyNQSMZHZUDKMWOT-FMQUCBEESA-N
XLogP3.93
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid?
The IUPAC name of 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid (CID 71344750) is 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid.
What is the SMILES notation for 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid?
The canonical SMILES for 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid is Nc1ccc(/N=N/c2cccc(C(=O)O)c2)c2cccnc12.
What is the InChIKey of 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid?
The InChIKey is NQSMZHZUDKMWOT-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12N4O2/c17-13-6-7-14(12-5-2-8-18-15(12)13)20-19-11-4-1-3-10(9-11)16(21)22/h1-9H,17H2,(H,21,22)/b20-19+.
What are the key properties of 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid?
3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid has a molecular weight of 292.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid is sourced from PubChem (CID 71344750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).