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

C23H20F3NO2 — CID 59009862

IUPAC5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc(-c2cccc3c2CCC(c2cccc(OC(F)(F)F)c2)N3)c1
InChIInChI=1S/C23H20F3NO2/c1-28-17-7-2-5-15(13-17)19-9-4-10-22-20(19)11-12-21(27-22)16-6-3-8-18(14-16)29-23(24,25)26/h2-10,13-14,21,27H,11-12H2,1H3
InChIKeyUDEQDVAEILBJCP-UHFFFAOYSA-N
MW399.41 g/mol
LogP6.36
Rot. Bonds4

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

5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 59009862) has the molecular formula C23H20F3NO2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
PubChem CID59009862
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc(-c2cccc3c2CCC(c2cccc(OC(F)(F)F)c2)N3)c1
InChIInChI=1S/C23H20F3NO2/c1-28-17-7-2-5-15(13-17)19-9-4-10-22-20(19)11-12-21(27-22)16-6-3-8-18(14-16)29-23(24,25)26/h2-10,13-14,21,27H,11-12H2,1H3
InChIKeyUDEQDVAEILBJCP-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 5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline (CID 59009862) is 5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline is COc1cccc(-c2cccc3c2CCC(c2cccc(OC(F)(F)F)c2)N3)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is UDEQDVAEILBJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO2/c1-28-17-7-2-5-15(13-17)19-9-4-10-22-20(19)11-12-21(27-22)16-6-3-8-18(14-16)29-23(24,25)26/h2-10,13-14,21,27H,11-12H2,1H3.
What are the key properties of 5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
5-(3-methoxyphenyl)-2-[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 5-(3-methoxyphenyl)-2-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 59009862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).