[4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone

C30H19F4NO2 — CID 66913129

IUPAC[4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C30H19F4NO2/c31-22-14-12-19(13-15-22)18-37-23-9-4-8-21(16-23)27-24-10-5-11-26(30(32,33)34)28(24)35-17-25(27)29(36)20-6-2-1-3-7-20/h1-17H,18H2
InChIKeyLMAZQJRXLJCUBQ-UHFFFAOYSA-N
MW501.48 g/mol
LogP7.87
Rot. Bonds6

About [4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone

[4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone (PubChem CID 66913129) has the molecular formula C30H19F4NO2 and a molecular weight of 501.48 g/mol. Its IUPAC name is [4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
PubChem CID66913129
Molecular FormulaC30H19F4NO2
Molecular Weight501.48 g/mol
Exact Mass501.14
IUPAC Name[4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C30H19F4NO2/c31-22-14-12-19(13-15-22)18-37-23-9-4-8-21(16-23)27-24-10-5-11-26(30(32,33)34)28(24)35-17-25(27)29(36)20-6-2-1-3-7-20/h1-17H,18H2
InChIKeyLMAZQJRXLJCUBQ-UHFFFAOYSA-N
XLogP7.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.48
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
The IUPAC name of [4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone (CID 66913129) is [4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone.
What is the SMILES notation for [4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
The canonical SMILES for [4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone is O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of [4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
The InChIKey is LMAZQJRXLJCUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F4NO2/c31-22-14-12-19(13-15-22)18-37-23-9-4-8-21(16-23)27-24-10-5-11-26(30(32,33)34)28(24)35-17-25(27)29(36)20-6-2-1-3-7-20/h1-17H,18H2.
What are the key properties of [4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone?
[4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone has a molecular weight of 501.48 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(4-fluorophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone is sourced from PubChem (CID 66913129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).