4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline

C24H26N4O2S — CID 90469188

IUPAC4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline
SMILESCC(C)c1ccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)cc1
InChIInChI=1S/C24H26N4O2S/c1-17(2)18-7-9-19(10-8-18)31(29,30)28-14-11-21-23(28)20-5-3-4-6-22(20)26-24(21)27-15-12-25-13-16-27/h3-11,14,17,25H,12-13,15-16H2,1-2H3
InChIKeyUJZCWBQXJZDXLT-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.96
Rot. Bonds4

About 4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline

4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline (PubChem CID 90469188) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline
PubChem CID90469188
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline
SMILESCC(C)c1ccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)cc1
InChIInChI=1S/C24H26N4O2S/c1-17(2)18-7-9-19(10-8-18)31(29,30)28-14-11-21-23(28)20-5-3-4-6-22(20)26-24(21)27-15-12-25-13-16-27/h3-11,14,17,25H,12-13,15-16H2,1-2H3
InChIKeyUJZCWBQXJZDXLT-UHFFFAOYSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline?
The IUPAC name of 4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline (CID 90469188) is 4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline is CC(C)c1ccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)cc1.
What is the InChIKey of 4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline?
The InChIKey is UJZCWBQXJZDXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-17(2)18-7-9-19(10-8-18)31(29,30)28-14-11-21-23(28)20-5-3-4-6-22(20)26-24(21)27-15-12-25-13-16-27/h3-11,14,17,25H,12-13,15-16H2,1-2H3.
What are the key properties of 4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline?
4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline has a molecular weight of 434.57 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).