phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone

C23H14F3NO — CID 11360909

IUPACphenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
SMILESO=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C23H14F3NO/c24-23(25,26)19-13-7-12-17-20(15-8-3-1-4-9-15)18(14-27-21(17)19)22(28)16-10-5-2-6-11-16/h1-14H
InChIKeyVLCMRTMCMQJSKM-UHFFFAOYSA-N
MW377.37 g/mol
LogP6.15
Rot. Bonds3

About phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone

phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone (PubChem CID 11360909) has the molecular formula C23H14F3NO and a molecular weight of 377.37 g/mol. Its IUPAC name is phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
PubChem CID11360909
Molecular FormulaC23H14F3NO
Molecular Weight377.37 g/mol
Exact Mass377.10
IUPAC Namephenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
SMILESO=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C23H14F3NO/c24-23(25,26)19-13-7-12-17-20(15-8-3-1-4-9-15)18(14-27-21(17)19)22(28)16-10-5-2-6-11-16/h1-14H
InChIKeyVLCMRTMCMQJSKM-UHFFFAOYSA-N
XLogP6.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.37
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The IUPAC name of phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone (CID 11360909) is phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone.
What is the SMILES notation for phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The canonical SMILES for phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone is O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1.
What is the InChIKey of phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
The InChIKey is VLCMRTMCMQJSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO/c24-23(25,26)19-13-7-12-17-20(15-8-3-1-4-9-15)18(14-27-21(17)19)22(28)16-10-5-2-6-11-16/h1-14H.
What are the key properties of phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone?
phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone has a molecular weight of 377.37 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone is sourced from PubChem (CID 11360909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).