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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Related Compounds

5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine
CID 87574586
5-chloro-2-(4-cyclobutylphenyl)-3-(4-fluorophenyl)-1,6-naphthyridine
CID 87585565
3,3-dimethyl-1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutan-1-amine
CID 163851685
2-(4-chlorophenyl)-5-cyclopropyl-3-phenyl-1,6-naphthyridine
CID 67002197
5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
CID 87574008
7-(4-cyclohexylphenyl)-1-phenylisoquinoline
CID 156674472
[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
CID 173108160
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine
CID 58524476
6-cyclobutyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 122539386
butyl-[1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethylamino]-oxidosulfanium
CID 87575386
4,8-dimethyl-12-[4-(3-methylcyclobutyl)phenyl]-11-phenyl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 91392909

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).