2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine

C25H22N2 — CID 68784299

IUPAC2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine
SMILESCc1nccc2nc(-c3ccc(C4CCC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C25H22N2/c1-17-22-16-23(20-6-3-2-4-7-20)25(27-24(22)14-15-26-17)21-12-10-19(11-13-21)18-8-5-9-18/h2-4,6-7,10-16,18H,5,8-9H2,1H3
InChIKeyMZQJIKXHBFVFLA-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.54
Rot. Bonds3

About 2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine

2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine (PubChem CID 68784299) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine
PubChem CID68784299
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine
SMILESCc1nccc2nc(-c3ccc(C4CCC4)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C25H22N2/c1-17-22-16-23(20-6-3-2-4-7-20)25(27-24(22)14-15-26-17)21-12-10-19(11-13-21)18-8-5-9-18/h2-4,6-7,10-16,18H,5,8-9H2,1H3
InChIKeyMZQJIKXHBFVFLA-UHFFFAOYSA-N
XLogP6.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine?
The IUPAC name of 2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine (CID 68784299) is 2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine?
The canonical SMILES for 2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine is Cc1nccc2nc(-c3ccc(C4CCC4)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine?
The InChIKey is MZQJIKXHBFVFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-17-22-16-23(20-6-3-2-4-7-20)25(27-24(22)14-15-26-17)21-12-10-19(11-13-21)18-8-5-9-18/h2-4,6-7,10-16,18H,5,8-9H2,1H3.
What are the key properties of 2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine?
2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine has a molecular weight of 350.47 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-5-methyl-3-phenyl-1,6-naphthyridine is sourced from PubChem (CID 68784299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).