1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

C22H22N4O2S — CID 90469187

IUPAC1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESCc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1
InChIInChI=1S/C22H22N4O2S/c1-16-5-4-6-17(15-16)29(27,28)26-12-9-19-21(26)18-7-2-3-8-20(18)24-22(19)25-13-10-23-11-14-25/h2-9,12,15,23H,10-11,13-14H2,1H3
InChIKeyIPEQZSDWFQRQIF-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.14
Rot. Bonds3

About 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline

1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (PubChem CID 90469187) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
PubChem CID90469187
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
SMILESCc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1
InChIInChI=1S/C22H22N4O2S/c1-16-5-4-6-17(15-16)29(27,28)26-12-9-19-21(26)18-7-2-3-8-20(18)24-22(19)25-13-10-23-11-14-25/h2-9,12,15,23H,10-11,13-14H2,1H3
InChIKeyIPEQZSDWFQRQIF-UHFFFAOYSA-N
XLogP3.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline (CID 90469187) is 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is Cc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
The InChIKey is IPEQZSDWFQRQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-16-5-4-6-17(15-16)29(27,28)26-12-9-19-21(26)18-7-2-3-8-20(18)24-22(19)25-13-10-23-11-14-25/h2-9,12,15,23H,10-11,13-14H2,1H3.
What are the key properties of 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline?
1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline has a molecular weight of 406.51 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).