5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine

C22H15F3N2O — CID 10156605

IUPAC5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
SMILESCOc1cccc(-c2cccc(-c3ccnc4nc(C(F)(F)F)ccc34)c2)c1
InChIInChI=1S/C22H15F3N2O/c1-28-17-7-3-5-15(13-17)14-4-2-6-16(12-14)18-10-11-26-21-19(18)8-9-20(27-21)22(23,24)25/h2-13H,1H3
InChIKeyCZPXQWKDHNCFLB-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.99
Rot. Bonds3

About 5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine

5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine (PubChem CID 10156605) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
PubChem CID10156605
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
SMILESCOc1cccc(-c2cccc(-c3ccnc4nc(C(F)(F)F)ccc34)c2)c1
InChIInChI=1S/C22H15F3N2O/c1-28-17-7-3-5-15(13-17)14-4-2-6-16(12-14)18-10-11-26-21-19(18)8-9-20(27-21)22(23,24)25/h2-13H,1H3
InChIKeyCZPXQWKDHNCFLB-UHFFFAOYSA-N
XLogP5.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine (CID 10156605) is 5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine is COc1cccc(-c2cccc(-c3ccnc4nc(C(F)(F)F)ccc34)c2)c1.
What is the InChIKey of 5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is CZPXQWKDHNCFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c1-28-17-7-3-5-15(13-17)14-4-2-6-16(12-14)18-10-11-26-21-19(18)8-9-20(27-21)22(23,24)25/h2-13H,1H3.
What are the key properties of 5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 380.37 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methoxyphenyl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 10156605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).