7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline

C24H24F3N3O2S — CID 59259374

IUPAC7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C24H24F3N3O2S/c1-29-11-8-16(9-12-29)21-15-30(23-7-5-18(13-20(21)23)24(25,26)27)33(31,32)19-6-4-17-3-2-10-28-22(17)14-19/h4-8,13-15,28H,2-3,9-12H2,1H3
InChIKeyGJYGVBPYMURIHG-UHFFFAOYSA-N
MW475.54 g/mol
LogP4.97
Rot. Bonds3

About 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline

7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 59259374) has the molecular formula C24H24F3N3O2S and a molecular weight of 475.54 g/mol. Its IUPAC name is 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID59259374
Molecular FormulaC24H24F3N3O2S
Molecular Weight475.54 g/mol
Exact Mass475.15
IUPAC Name7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C24H24F3N3O2S/c1-29-11-8-16(9-12-29)21-15-30(23-7-5-18(13-20(21)23)24(25,26)27)33(31,32)19-6-4-17-3-2-10-28-22(17)14-19/h4-8,13-15,28H,2-3,9-12H2,1H3
InChIKeyGJYGVBPYMURIHG-UHFFFAOYSA-N
XLogP4.97
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline (CID 59259374) is 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is GJYGVBPYMURIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S/c1-29-11-8-16(9-12-29)21-15-30(23-7-5-18(13-20(21)23)24(25,26)27)33(31,32)19-6-4-17-3-2-10-28-22(17)14-19/h4-8,13-15,28H,2-3,9-12H2,1H3.
What are the key properties of 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 475.54 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 59259374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).