2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline

C23H20F3NO2 — CID 59009764

IUPAC2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc(C2CCc3c(cccc3-c3cccc(OC(F)(F)F)c3)N2)c1
InChIInChI=1S/C23H20F3NO2/c1-28-17-7-3-6-16(14-17)21-12-11-20-19(9-4-10-22(20)27-21)15-5-2-8-18(13-15)29-23(24,25)26/h2-10,13-14,21,27H,11-12H2,1H3
InChIKeyXLRPVPQPAGCPLZ-UHFFFAOYSA-N
MW399.41 g/mol
LogP6.36
Rot. Bonds4

About 2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline

2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 59009764) has the molecular formula C23H20F3NO2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
PubChem CID59009764
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc(C2CCc3c(cccc3-c3cccc(OC(F)(F)F)c3)N2)c1
InChIInChI=1S/C23H20F3NO2/c1-28-17-7-3-6-16(14-17)21-12-11-20-19(9-4-10-22(20)27-21)15-5-2-8-18(13-15)29-23(24,25)26/h2-10,13-14,21,27H,11-12H2,1H3
InChIKeyXLRPVPQPAGCPLZ-UHFFFAOYSA-N
XLogP6.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline (CID 59009764) is 2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline is COc1cccc(C2CCc3c(cccc3-c3cccc(OC(F)(F)F)c3)N2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is XLRPVPQPAGCPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO2/c1-28-17-7-3-6-16(14-17)21-12-11-20-19(9-4-10-22(20)27-21)15-5-2-8-18(13-15)29-23(24,25)26/h2-10,13-14,21,27H,11-12H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 399.41 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 59009764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).