4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline

C25H24F3NO2 — CID 129285852

IUPAC4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline
SMILESCCOc1c2c(nc(C)c1-c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CCCC2
InChIInChI=1S/C25H24F3NO2/c1-3-30-24-21-6-4-5-7-22(21)29-16(2)23(24)17-8-12-19(13-9-17)31-20-14-10-18(11-15-20)25(26,27)28/h8-15H,3-7H2,1-2H3
InChIKeyFAEPVEXASOTALY-UHFFFAOYSA-N
MW427.47 g/mol
LogP7.15
Rot. Bonds5

About 4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline

4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline (PubChem CID 129285852) has the molecular formula C25H24F3NO2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline
PubChem CID129285852
Molecular FormulaC25H24F3NO2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline
SMILESCCOc1c2c(nc(C)c1-c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CCCC2
InChIInChI=1S/C25H24F3NO2/c1-3-30-24-21-6-4-5-7-22(21)29-16(2)23(24)17-8-12-19(13-9-17)31-20-14-10-18(11-15-20)25(26,27)28/h8-15H,3-7H2,1-2H3
InChIKeyFAEPVEXASOTALY-UHFFFAOYSA-N
XLogP7.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline (CID 129285852) is 4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline is CCOc1c2c(nc(C)c1-c1ccc(Oc3ccc(C(F)(F)F)cc3)cc1)CCCC2.
What is the InChIKey of 4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline?
The InChIKey is FAEPVEXASOTALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO2/c1-3-30-24-21-6-4-5-7-22(21)29-16(2)23(24)17-8-12-19(13-9-17)31-20-14-10-18(11-15-20)25(26,27)28/h8-15H,3-7H2,1-2H3.
What are the key properties of 4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline?
4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline has a molecular weight of 427.47 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 129285852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).