8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline

C22H21N3O2S — CID 46880607

IUPAC8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline
SMILESO=S(=O)(c1cn(C2CCCNC2)c2ccccc12)c1cccc2cccnc12
InChIInChI=1S/C22H21N3O2S/c26-28(27,20-11-3-6-16-7-4-13-24-22(16)20)21-15-25(17-8-5-12-23-14-17)19-10-2-1-9-18(19)21/h1-4,6-7,9-11,13,15,17,23H,5,8,12,14H2
InChIKeyAQNZXINGTMSAJY-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.95
Rot. Bonds3

About 8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline

8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline (PubChem CID 46880607) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline
PubChem CID46880607
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline
SMILESO=S(=O)(c1cn(C2CCCNC2)c2ccccc12)c1cccc2cccnc12
InChIInChI=1S/C22H21N3O2S/c26-28(27,20-11-3-6-16-7-4-13-24-22(16)20)21-15-25(17-8-5-12-23-14-17)19-10-2-1-9-18(19)21/h1-4,6-7,9-11,13,15,17,23H,5,8,12,14H2
InChIKeyAQNZXINGTMSAJY-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline?
The IUPAC name of 8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline (CID 46880607) is 8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline.
What is the SMILES notation for 8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline?
The canonical SMILES for 8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline is O=S(=O)(c1cn(C2CCCNC2)c2ccccc12)c1cccc2cccnc12.
What is the InChIKey of 8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline?
The InChIKey is AQNZXINGTMSAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c26-28(27,20-11-3-6-16-7-4-13-24-22(16)20)21-15-25(17-8-5-12-23-14-17)19-10-2-1-9-18(19)21/h1-4,6-7,9-11,13,15,17,23H,5,8,12,14H2.
What are the key properties of 8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline?
8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline has a molecular weight of 391.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-piperidin-3-ylindol-3-yl)sulfonylquinoline is sourced from PubChem (CID 46880607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).