[4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone

C28H17F3N2O — CID 11396865

IUPAC[4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H17F3N2O/c29-28(30,31)23-10-6-9-21-25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)22(17-33-26(21)23)27(34)24-11-4-5-16-32-24/h1-17H
InChIKeyLOSXAXFUVYCECS-UHFFFAOYSA-N
MW454.45 g/mol
LogP7.21
Rot. Bonds4

About [4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone

[4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone (PubChem CID 11396865) has the molecular formula C28H17F3N2O and a molecular weight of 454.45 g/mol. Its IUPAC name is [4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone
PubChem CID11396865
Molecular FormulaC28H17F3N2O
Molecular Weight454.45 g/mol
Exact Mass454.13
IUPAC Name[4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H17F3N2O/c29-28(30,31)23-10-6-9-21-25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)22(17-33-26(21)23)27(34)24-11-4-5-16-32-24/h1-17H
InChIKeyLOSXAXFUVYCECS-UHFFFAOYSA-N
XLogP7.21
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone (CID 11396865) is [4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is LOSXAXFUVYCECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F3N2O/c29-28(30,31)23-10-6-9-21-25(20-14-12-19(13-15-20)18-7-2-1-3-8-18)22(17-33-26(21)23)27(34)24-11-4-5-16-32-24/h1-17H.
What are the key properties of [4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone?
[4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 454.45 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylphenyl)-8-(trifluoromethyl)quinolin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 11396865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).