phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone

C30H17F6NO2 — CID 11364659

IUPACphenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone
SMILESO=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2c(F)cc(F)cc2F)c1
InChIInChI=1S/C30H17F6NO2/c31-19-13-25(32)23(26(33)14-19)16-39-20-9-4-8-18(12-20)27-21-10-5-11-24(30(34,35)36)28(21)37-15-22(27)29(38)17-6-2-1-3-7-17/h1-15H,16H2
InChIKeyNOZBEPHEPIZACV-UHFFFAOYSA-N
MW537.46 g/mol
LogP8.15
Rot. Bonds6

About phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone

phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone (PubChem CID 11364659) has the molecular formula C30H17F6NO2 and a molecular weight of 537.46 g/mol. Its IUPAC name is phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone
PubChem CID11364659
Molecular FormulaC30H17F6NO2
Molecular Weight537.46 g/mol
Exact Mass537.12
IUPAC Namephenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone
SMILESO=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2c(F)cc(F)cc2F)c1
InChIInChI=1S/C30H17F6NO2/c31-19-13-25(32)23(26(33)14-19)16-39-20-9-4-8-18(12-20)27-21-10-5-11-24(30(34,35)36)28(21)37-15-22(27)29(38)17-6-2-1-3-7-17/h1-15H,16H2
InChIKeyNOZBEPHEPIZACV-UHFFFAOYSA-N
XLogP8.15
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.46
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone?
The IUPAC name of phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone (CID 11364659) is phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone.
What is the SMILES notation for phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone?
The canonical SMILES for phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone is O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2c(F)cc(F)cc2F)c1.
What is the InChIKey of phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone?
The InChIKey is NOZBEPHEPIZACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17F6NO2/c31-19-13-25(32)23(26(33)14-19)16-39-20-9-4-8-18(12-20)27-21-10-5-11-24(30(34,35)36)28(21)37-15-22(27)29(38)17-6-2-1-3-7-17/h1-15H,16H2.
What are the key properties of phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone?
phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone has a molecular weight of 537.46 g/mol, XLogP of 8.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[8-(trifluoromethyl)-4-[3-[(2,4,6-trifluorophenyl)methoxy]phenyl]quinolin-3-yl]methanone is sourced from PubChem (CID 11364659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).