4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline

C22H19F3N4O2S — CID 90469184

IUPAC4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C22H19F3N4O2S/c23-22(24,25)15-5-7-16(8-6-15)32(30,31)29-12-9-18-20(29)17-3-1-2-4-19(17)27-21(18)28-13-10-26-11-14-28/h1-9,12,26H,10-11,13-14H2
InChIKeyZIVNSLSBRMRVPD-UHFFFAOYSA-N
MW460.48 g/mol
LogP3.85
Rot. Bonds3

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

4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline (PubChem CID 90469184) has the molecular formula C22H19F3N4O2S and a molecular weight of 460.48 g/mol. Its IUPAC name is 4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
PubChem CID90469184
Molecular FormulaC22H19F3N4O2S
Molecular Weight460.48 g/mol
Exact Mass460.12
IUPAC Name4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C22H19F3N4O2S/c23-22(24,25)15-5-7-16(8-6-15)32(30,31)29-12-9-18-20(29)17-3-1-2-4-19(17)27-21(18)28-13-10-26-11-14-28/h1-9,12,26H,10-11,13-14H2
InChIKeyZIVNSLSBRMRVPD-UHFFFAOYSA-N
XLogP3.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 53.85
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-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
The IUPAC name of 4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline (CID 90469184) is 4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline is O=S(=O)(c1ccc(C(F)(F)F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
The InChIKey is ZIVNSLSBRMRVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2S/c23-22(24,25)15-5-7-16(8-6-15)32(30,31)29-12-9-18-20(29)17-3-1-2-4-19(17)27-21(18)28-13-10-26-11-14-28/h1-9,12,26H,10-11,13-14H2.
What are the key properties of 4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline has a molecular weight of 460.48 g/mol, XLogP of 3.85, 3 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-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).