4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide

C16H14N6 — CID 118687515

IUPAC4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/c2c(N)ncc3ccccc23)cc1
InChIInChI=1S/C16H14N6/c17-15(18)10-5-7-12(8-6-10)21-22-14-13-4-2-1-3-11(13)9-20-16(14)19/h1-9H,(H3,17,18)(H2,19,20)/b22-21+
InChIKeyNXTLQOGBLDEGPH-QURGRASLSA-N
MW290.33 g/mol
LogP3.52
Rot. Bonds3

About 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide

4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide (PubChem CID 118687515) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide
PubChem CID118687515
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/c2c(N)ncc3ccccc23)cc1
InChIInChI=1S/C16H14N6/c17-15(18)10-5-7-12(8-6-10)21-22-14-13-4-2-1-3-11(13)9-20-16(14)19/h1-9H,(H3,17,18)(H2,19,20)/b22-21+
InChIKeyNXTLQOGBLDEGPH-QURGRASLSA-N
XLogP3.52
TPSA113.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide 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 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide?
The IUPAC name of 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide (CID 118687515) is 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide?
The canonical SMILES for 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(/N=N/c2c(N)ncc3ccccc23)cc1.
What is the InChIKey of 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide?
The InChIKey is NXTLQOGBLDEGPH-QURGRASLSA-N. The full InChI is InChI=1S/C16H14N6/c17-15(18)10-5-7-12(8-6-10)21-22-14-13-4-2-1-3-11(13)9-20-16(14)19/h1-9H,(H3,17,18)(H2,19,20)/b22-21+.
What are the key properties of 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide?
4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide has a molecular weight of 290.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminoisoquinolin-4-yl)diazenyl]benzenecarboximidamide is sourced from PubChem (CID 118687515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).