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

C23H24FN3O2S — CID 59259410

IUPAC7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(F)cc23)CC1
InChIInChI=1S/C23H24FN3O2S/c1-26-11-8-16(9-12-26)21-15-27(23-7-5-18(24)13-20(21)23)30(28,29)19-6-4-17-3-2-10-25-22(17)14-19/h4-8,13-15,25H,2-3,9-12H2,1H3
InChIKeyHHHZLWLHBLOYPU-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.09
Rot. Bonds3

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

7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 59259410) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID59259410
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(F)cc23)CC1
InChIInChI=1S/C23H24FN3O2S/c1-26-11-8-16(9-12-26)21-15-27(23-7-5-18(24)13-20(21)23)30(28,29)19-6-4-17-3-2-10-25-22(17)14-19/h4-8,13-15,25H,2-3,9-12H2,1H3
InChIKeyHHHZLWLHBLOYPU-UHFFFAOYSA-N
XLogP4.09
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
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N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371

Frequently Asked Questions

What is the IUPAC name of 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline (CID 59259410) is 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(F)cc23)CC1.
What is the InChIKey of 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HHHZLWLHBLOYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-26-11-8-16(9-12-26)21-15-27(23-7-5-18(24)13-20(21)23)30(28,29)19-6-4-17-3-2-10-25-22(17)14-19/h4-8,13-15,25H,2-3,9-12H2,1H3.
What are the key properties of 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 425.53 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 59259410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).