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

C25H26F3N3O2S — CID 59259354

IUPAC1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H26F3N3O2S/c1-29-12-9-17(10-13-29)22-16-31(23-8-6-19(14-21(22)23)25(26,27)28)34(32,33)20-7-5-18-4-3-11-30(2)24(18)15-20/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKeyLCCMTCAYDDOCCV-UHFFFAOYSA-N
MW489.56 g/mol
LogP5.00
Rot. Bonds3

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

1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 59259354) has the molecular formula C25H26F3N3O2S and a molecular weight of 489.56 g/mol. Its IUPAC name is 1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID59259354
Molecular FormulaC25H26F3N3O2S
Molecular Weight489.56 g/mol
Exact Mass489.17
IUPAC Name1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H26F3N3O2S/c1-29-12-9-17(10-13-29)22-16-31(23-8-6-19(14-21(22)23)25(26,27)28)34(32,33)20-7-5-18-4-3-11-30(2)24(18)15-20/h5-9,14-16H,3-4,10-13H2,1-2H3
InChIKeyLCCMTCAYDDOCCV-UHFFFAOYSA-N
XLogP5.00
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (CID 59259354) is 1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is LCCMTCAYDDOCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2S/c1-29-12-9-17(10-13-29)22-16-31(23-8-6-19(14-21(22)23)25(26,27)28)34(32,33)20-7-5-18-4-3-11-30(2)24(18)15-20/h5-9,14-16H,3-4,10-13H2,1-2H3.
What are the key properties of 1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 489.56 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 59259354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).