3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium

C26H24N3+ — CID 139112602

IUPAC3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium
SMILESCCCC[n+]1ccn2c3ccncc3c(-c3ccccc3)c(-c3ccccc3)c21
InChIInChI=1S/C26H24N3/c1-2-3-16-28-17-18-29-23-14-15-27-19-22(23)24(20-10-6-4-7-11-20)25(26(28)29)21-12-8-5-9-13-21/h4-15,17-19H,2-3,16H2,1H3/q+1
InChIKeyIFHAFFLAFOATCL-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.91
Rot. Bonds5

About 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium

3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium (PubChem CID 139112602) has the molecular formula C26H24N3+ and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium.

Molecular Properties

Compound Name3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium
PubChem CID139112602
Molecular FormulaC26H24N3+
Molecular Weight378.50 g/mol
Exact Mass378.20
IUPAC Name3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium
SMILESCCCC[n+]1ccn2c3ccncc3c(-c3ccccc3)c(-c3ccccc3)c21
InChIInChI=1S/C26H24N3/c1-2-3-16-28-17-18-29-23-14-15-27-19-22(23)24(20-10-6-4-7-11-20)25(26(28)29)21-12-8-5-9-13-21/h4-15,17-19H,2-3,16H2,1H3/q+1
InChIKeyIFHAFFLAFOATCL-UHFFFAOYSA-N
XLogP5.91
TPSA21.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium with MolForge

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

Launch Full Analysis

Related Compounds

1-butyl-3-ethyl-2-phenylimidazol-1-ium
CID 87808248
1-butyl-2,3-diphenylimidazol-1-ium
CID 87808145
1,3-diphenylpyrrolo[3,2-c]pyridin-2-amine
CID 175479523
1-dodecyl-3-pentadecyl-2-phenylimidazol-3-ium
CID 87805437
1-decyl-2-phenyl-3-tridecylimidazol-3-ium
CID 87811425
1-butyl-2-phenyl-3-tetradecylimidazol-3-ium
CID 87811205
1-heptyl-3-nonyl-2-phenylimidazol-1-ium
CID 87811198
1-nonadecyl-3-octyl-2-phenylimidazol-1-ium
CID 87897127
1-butyl-2-phenyl-3-propylimidazol-3-ium
CID 87806306
1-nonadecyl-2,3-diphenylimidazol-1-ium
CID 87810380
1-heptyl-2,3-diphenylimidazol-1-ium
CID 87809749
1,2-diphenyl-3-tetradecylimidazol-3-ium
CID 87806578

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium?
The IUPAC name of 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium (CID 139112602) is 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium.
What is the SMILES notation for 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium?
The canonical SMILES for 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium is CCCC[n+]1ccn2c3ccncc3c(-c3ccccc3)c(-c3ccccc3)c21.
What is the InChIKey of 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium?
The InChIKey is IFHAFFLAFOATCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N3/c1-2-3-16-28-17-18-29-23-14-15-27-19-22(23)24(20-10-6-4-7-11-20)25(26(28)29)21-12-8-5-9-13-21/h4-15,17-19H,2-3,16H2,1H3/q+1.
What are the key properties of 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium?
3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium has a molecular weight of 378.50 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium is sourced from PubChem (CID 139112602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).