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

C24H27N3O2S — CID 91492462

IUPAC1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1CC(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccccc23)=CCN1
InChIInChI=1S/C24H27N3O2S/c1-17-14-19(11-12-25-17)22-16-27(23-8-4-3-7-21(22)23)30(28,29)20-10-9-18-6-5-13-26(2)24(18)15-20/h3-4,7-11,15-17,25H,5-6,12-14H2,1-2H3
InChIKeyKVNQODWMUMNFBS-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.03
Rot. Bonds3

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

1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 91492462) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID91492462
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCC1CC(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccccc23)=CCN1
InChIInChI=1S/C24H27N3O2S/c1-17-14-19(11-12-25-17)22-16-27(23-8-4-3-7-21(22)23)30(28,29)20-10-9-18-6-5-13-26(2)24(18)15-20/h3-4,7-11,15-17,25H,5-6,12-14H2,1-2H3
InChIKeyKVNQODWMUMNFBS-UHFFFAOYSA-N
XLogP4.03
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 91289532
5-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-1,2-benzoxazole
CID 68717284
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
2-methyl-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-4-amine
CID 126784254
1-(benzenesulfonyl)-3-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]indole
CID 10091070
7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
CID 59259410
1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
CID 23624297
N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline
CID 24743941
6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)
CID 157304519
6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole
CID 24743700
1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 160886313

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (CID 91492462) is 1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is CC1CC(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccccc23)=CCN1.
What is the InChIKey of 1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is KVNQODWMUMNFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-17-14-19(11-12-25-17)22-16-27(23-8-4-3-7-21(22)23)30(28,29)20-10-9-18-6-5-13-26(2)24(18)15-20/h3-4,7-11,15-17,25H,5-6,12-14H2,1-2H3.
What are the key properties of 1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 421.57 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 91492462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).