5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine

C24H18ClFN2 — CID 87585565

IUPAC5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine
SMILESFc1ccc(-c2cc3c(Cl)nccc3nc2-c2ccc(C3CCC3)cc2)cc1
InChIInChI=1S/C24H18ClFN2/c25-24-21-14-20(17-8-10-19(26)11-9-17)23(28-22(21)12-13-27-24)18-6-4-16(5-7-18)15-2-1-3-15/h4-15H,1-3H2
InChIKeyAWVQQXIFSUQMOW-UHFFFAOYSA-N
MW388.87 g/mol
LogP7.02
Rot. Bonds3

About 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine

5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine (PubChem CID 87585565) has the molecular formula C24H18ClFN2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine.

Molecular Properties

Compound Name5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine
PubChem CID87585565
Molecular FormulaC24H18ClFN2
Molecular Weight388.87 g/mol
Exact Mass388.11
IUPAC Name5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine
SMILESFc1ccc(-c2cc3c(Cl)nccc3nc2-c2ccc(C3CCC3)cc2)cc1
InChIInChI=1S/C24H18ClFN2/c25-24-21-14-20(17-8-10-19(26)11-9-17)23(28-22(21)12-13-27-24)18-6-4-16(5-7-18)15-2-1-3-15/h4-15H,1-3H2
InChIKeyAWVQQXIFSUQMOW-UHFFFAOYSA-N
XLogP7.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.87
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine 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 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine?
The IUPAC name of 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine (CID 87585565) is 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine.
What is the SMILES notation for 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine?
The canonical SMILES for 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine is Fc1ccc(-c2cc3c(Cl)nccc3nc2-c2ccc(C3CCC3)cc2)cc1.
What is the InChIKey of 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine?
The InChIKey is AWVQQXIFSUQMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2/c25-24-21-14-20(17-8-10-19(26)11-9-17)23(28-22(21)12-13-27-24)18-6-4-16(5-7-18)15-2-1-3-15/h4-15H,1-3H2.
What are the key properties of 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine?
5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine has a molecular weight of 388.87 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine is sourced from PubChem (CID 87585565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).