4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

C22H22F3N5O3 — CID 23536103

IUPAC4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(N3CCCc4ccc(C(F)(F)F)cc43)n2)cc(OC)c1OC
InChIInChI=1S/C22H22F3N5O3/c1-31-17-10-15(11-18(32-2)19(17)33-3)28-20-26-12-27-21(29-20)30-8-4-5-13-6-7-14(9-16(13)30)22(23,24)25/h6-7,9-12H,4-5,8H2,1-3H3,(H,26,27,28,29)
InChIKeyZVTKDCPKHJJPQF-UHFFFAOYSA-N
MW461.44 g/mol
LogP4.74
Rot. Bonds6

About 4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine

4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 23536103) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is 4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID23536103
Molecular FormulaC22H22F3N5O3
Molecular Weight461.44 g/mol
Exact Mass461.17
IUPAC Name4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(Nc2ncnc(N3CCCc4ccc(C(F)(F)F)cc43)n2)cc(OC)c1OC
InChIInChI=1S/C22H22F3N5O3/c1-31-17-10-15(11-18(32-2)19(17)33-3)28-20-26-12-27-21(29-20)30-8-4-5-13-6-7-14(9-16(13)30)22(23,24)25/h6-7,9-12H,4-5,8H2,1-3H3,(H,26,27,28,29)
InChIKeyZVTKDCPKHJJPQF-UHFFFAOYSA-N
XLogP4.74
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine (CID 23536103) is 4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(Nc2ncnc(N3CCCc4ccc(C(F)(F)F)cc43)n2)cc(OC)c1OC.
What is the InChIKey of 4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is ZVTKDCPKHJJPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3/c1-31-17-10-15(11-18(32-2)19(17)33-3)28-20-26-12-27-21(29-20)30-8-4-5-13-6-7-14(9-16(13)30)22(23,24)25/h6-7,9-12H,4-5,8H2,1-3H3,(H,26,27,28,29).
What are the key properties of 4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine?
4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 461.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 23536103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).