1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline

C22H21FN4O2S — CID 90469382

IUPAC1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
SMILESCN1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21FN4O2S/c1-25-12-14-26(15-13-25)22-19-10-11-27(21(19)18-4-2-3-5-20(18)24-22)30(28,29)17-8-6-16(23)7-9-17/h2-11H,12-15H2,1H3
InChIKeyCNWWVLYFQZMMHT-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline

1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline (PubChem CID 90469382) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
PubChem CID90469382
Molecular FormulaC22H21FN4O2S
Molecular Weight424.50 g/mol
Exact Mass424.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
SMILESCN1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21FN4O2S/c1-25-12-14-26(15-13-25)22-19-10-11-27(21(19)18-4-2-3-5-20(18)24-22)30(28,29)17-8-6-16(23)7-9-17/h2-11H,12-15H2,1H3
InChIKeyCNWWVLYFQZMMHT-UHFFFAOYSA-N
XLogP3.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline (CID 90469382) is 1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline is CN1CCN(c2nc3ccccc3c3c2ccn3S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline?
The InChIKey is CNWWVLYFQZMMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-25-12-14-26(15-13-25)22-19-10-11-27(21(19)18-4-2-3-5-20(18)24-22)30(28,29)17-8-6-16(23)7-9-17/h2-11H,12-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline?
1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline has a molecular weight of 424.50 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).