4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline

C32H20F9NO — CID 87202369

IUPAC4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
SMILESCc1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)c1
InChIInChI=1S/C32H20F9NO/c1-18-6-2-3-9-23(18)25-16-42-29-24(10-5-11-27(29)32(39,40)41)28(25)19-7-4-8-22(15-19)43-17-20-14-21(30(33,34)35)12-13-26(20)31(36,37)38/h2-16H,17H2,1H3
InChIKeyJDQHPMJYINPZQW-UHFFFAOYSA-N
MW605.50 g/mol
LogP10.51
Rot. Bonds5

About 4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline

4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline (PubChem CID 87202369) has the molecular formula C32H20F9NO and a molecular weight of 605.50 g/mol. Its IUPAC name is 4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
PubChem CID87202369
Molecular FormulaC32H20F9NO
Molecular Weight605.50 g/mol
Exact Mass605.14
IUPAC Name4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline
SMILESCc1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)c1
InChIInChI=1S/C32H20F9NO/c1-18-6-2-3-9-23(18)25-16-42-29-24(10-5-11-27(29)32(39,40)41)28(25)19-7-4-8-22(15-19)43-17-20-14-21(30(33,34)35)12-13-26(20)31(36,37)38/h2-16H,17H2,1H3
InChIKeyJDQHPMJYINPZQW-UHFFFAOYSA-N
XLogP10.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.50
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline (CID 87202369) is 4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline is Cc1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)c1.
What is the InChIKey of 4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline?
The InChIKey is JDQHPMJYINPZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20F9NO/c1-18-6-2-3-9-23(18)25-16-42-29-24(10-5-11-27(29)32(39,40)41)28(25)19-7-4-8-22(15-19)43-17-20-14-21(30(33,34)35)12-13-26(20)31(36,37)38/h2-16H,17H2,1H3.
What are the key properties of 4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline?
4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline has a molecular weight of 605.50 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-3-(2-methylphenyl)-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 87202369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).