4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine

C24H22N2 — CID 159230353

IUPAC4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine
SMILESC=C1C=C(Cc2ccc(-c3ccc(CC)cc3)cc2)c2cccnc2N1
InChIInChI=1S/C24H22N2/c1-3-18-6-10-20(11-7-18)21-12-8-19(9-13-21)16-22-15-17(2)26-24-23(22)5-4-14-25-24/h4-15H,2-3,16H2,1H3,(H,25,26)
InChIKeyPAQYJOOKGKOBIR-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.88
Rot. Bonds4

About 4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine

4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine (PubChem CID 159230353) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine.

Molecular Properties

Compound Name4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine
PubChem CID159230353
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine
SMILESC=C1C=C(Cc2ccc(-c3ccc(CC)cc3)cc2)c2cccnc2N1
InChIInChI=1S/C24H22N2/c1-3-18-6-10-20(11-7-18)21-12-8-19(9-13-21)16-22-15-17(2)26-24-23(22)5-4-14-25-24/h4-15H,2-3,16H2,1H3,(H,25,26)
InChIKeyPAQYJOOKGKOBIR-UHFFFAOYSA-N
XLogP5.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine?
The IUPAC name of 4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine (CID 159230353) is 4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine.
What is the SMILES notation for 4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine?
The canonical SMILES for 4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine is C=C1C=C(Cc2ccc(-c3ccc(CC)cc3)cc2)c2cccnc2N1.
What is the InChIKey of 4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine?
The InChIKey is PAQYJOOKGKOBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-3-18-6-10-20(11-7-18)21-12-8-19(9-13-21)16-22-15-17(2)26-24-23(22)5-4-14-25-24/h4-15H,2-3,16H2,1H3,(H,25,26).
What are the key properties of 4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine?
4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine has a molecular weight of 338.45 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethylphenyl)phenyl]methyl]-2-methylidene-1H-1,8-naphthyridine is sourced from PubChem (CID 159230353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).