4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline

C23H23N3O3S — CID 155518290

IUPAC4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline
SMILESCOc1ccc2c(c1)c(C1CCNCC1)cn2S(=O)(=O)c1cncc2ccccc12
InChIInChI=1S/C23H23N3O3S/c1-29-18-6-7-22-20(12-18)21(16-8-10-24-11-9-16)15-26(22)30(27,28)23-14-25-13-17-4-2-3-5-19(17)23/h2-7,12-16,24H,8-11H2,1H3
InChIKeyBVIMNHLNDXRATR-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.90
Rot. Bonds4

About 4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline

4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline (PubChem CID 155518290) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline.

Molecular Properties

Compound Name4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline
PubChem CID155518290
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline
SMILESCOc1ccc2c(c1)c(C1CCNCC1)cn2S(=O)(=O)c1cncc2ccccc12
InChIInChI=1S/C23H23N3O3S/c1-29-18-6-7-22-20(12-18)21(16-8-10-24-11-9-16)15-26(22)30(27,28)23-14-25-13-17-4-2-3-5-19(17)23/h2-7,12-16,24H,8-11H2,1H3
InChIKeyBVIMNHLNDXRATR-UHFFFAOYSA-N
XLogP3.90
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline?
The IUPAC name of 4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline (CID 155518290) is 4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline.
What is the SMILES notation for 4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline?
The canonical SMILES for 4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline is COc1ccc2c(c1)c(C1CCNCC1)cn2S(=O)(=O)c1cncc2ccccc12.
What is the InChIKey of 4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline?
The InChIKey is BVIMNHLNDXRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-29-18-6-7-22-20(12-18)21(16-8-10-24-11-9-16)15-26(22)30(27,28)23-14-25-13-17-4-2-3-5-19(17)23/h2-7,12-16,24H,8-11H2,1H3.
What are the key properties of 4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline?
4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline has a molecular weight of 421.52 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline is sourced from PubChem (CID 155518290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).