[8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium

C20H21N4O+ — CID 174606287

IUPAC[8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc2ccc(C=O)c(/N=N/c3ccc(N)cc3)c2c1
InChIInChI=1S/C20H20N4O/c1-24(2,3)18-11-6-14-4-5-15(13-25)20(19(14)12-18)23-22-17-9-7-16(21)8-10-17/h4-13H,1-3H3,(H-,21,23,25)/p+1
InChIKeyUPGBETSHQFJDOO-UHFFFAOYSA-O
MW333.42 g/mol
LogP4.85
Rot. Bonds4

About [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium

[8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium (PubChem CID 174606287) has the molecular formula C20H21N4O+ and a molecular weight of 333.42 g/mol. Its IUPAC name is [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium.

Molecular Properties

Compound Name[8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium
PubChem CID174606287
Molecular FormulaC20H21N4O+
Molecular Weight333.42 g/mol
Exact Mass333.17
IUPAC Name[8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc2ccc(C=O)c(/N=N/c3ccc(N)cc3)c2c1
InChIInChI=1S/C20H20N4O/c1-24(2,3)18-11-6-14-4-5-15(13-25)20(19(14)12-18)23-22-17-9-7-16(21)8-10-17/h4-13H,1-3H3,(H-,21,23,25)/p+1
InChIKeyUPGBETSHQFJDOO-UHFFFAOYSA-O
XLogP4.85
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium 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 [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium?
The IUPAC name of [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium (CID 174606287) is [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium.
What is the SMILES notation for [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium?
The canonical SMILES for [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium is C[N+](C)(C)c1ccc2ccc(C=O)c(/N=N/c3ccc(N)cc3)c2c1.
What is the InChIKey of [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium?
The InChIKey is UPGBETSHQFJDOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20N4O/c1-24(2,3)18-11-6-14-4-5-15(13-25)20(19(14)12-18)23-22-17-9-7-16(21)8-10-17/h4-13H,1-3H3,(H-,21,23,25)/p+1.
What are the key properties of [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium?
[8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium has a molecular weight of 333.42 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(4-aminophenyl)diazenyl]-7-formylnaphthalen-2-yl]-trimethylazanium is sourced from PubChem (CID 174606287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).