6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline

C22H18ClN3O2S — CID 155561906

IUPAC6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1ccc2ncccc2c1)n1cc(C2=CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C22H18ClN3O2S/c23-17-3-5-19-20(15-7-10-24-11-8-15)14-26(22(19)13-17)29(27,28)18-4-6-21-16(12-18)2-1-9-25-21/h1-7,9,12-14,24H,8,10-11H2
InChIKeyJINDPWUZZRFABQ-UHFFFAOYSA-N
MW423.93 g/mol
LogP4.46
Rot. Bonds3

About 6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline

6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline (PubChem CID 155561906) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is 6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline
PubChem CID155561906
Molecular FormulaC22H18ClN3O2S
Molecular Weight423.93 g/mol
Exact Mass423.08
IUPAC Name6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1ccc2ncccc2c1)n1cc(C2=CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C22H18ClN3O2S/c23-17-3-5-19-20(15-7-10-24-11-8-15)14-26(22(19)13-17)29(27,28)18-4-6-21-16(12-18)2-1-9-25-21/h1-7,9,12-14,24H,8,10-11H2
InChIKeyJINDPWUZZRFABQ-UHFFFAOYSA-N
XLogP4.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline?
The IUPAC name of 6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline (CID 155561906) is 6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline.
What is the SMILES notation for 6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline?
The canonical SMILES for 6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline is O=S(=O)(c1ccc2ncccc2c1)n1cc(C2=CCNCC2)c2ccc(Cl)cc21.
What is the InChIKey of 6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline?
The InChIKey is JINDPWUZZRFABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c23-17-3-5-19-20(15-7-10-24-11-8-15)14-26(22(19)13-17)29(27,28)18-4-6-21-16(12-18)2-1-9-25-21/h1-7,9,12-14,24H,8,10-11H2.
What are the key properties of 6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline?
6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline has a molecular weight of 423.93 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline is sourced from PubChem (CID 155561906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).