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

C44H38F6N8O4S2 — CID 158118872

IUPAC4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.O=S(=O)(c1cccc(C(F)(F)F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/2C22H19F3N4O2S/c23-22(24,25)15-4-3-5-16(14-15)32(30,31)29-11-8-18-20(29)17-6-1-2-7-19(17)27-21(18)28-12-9-26-10-13-28;23-22(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/h1-8,11,14,26H,9-10,12-13H2;1-9,12,26H,10-11,13-14H2
InChIKeyFRIYVEAXTNMBKI-UHFFFAOYSA-N
MW920.96 g/mol
LogP7.71
Rot. Bonds6

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

4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline (PubChem CID 158118872) has the molecular formula C44H38F6N8O4S2 and a molecular weight of 920.96 g/mol. Its IUPAC name is 4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
PubChem CID158118872
Molecular FormulaC44H38F6N8O4S2
Molecular Weight920.96 g/mol
Exact Mass920.24
IUPAC Name4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.O=S(=O)(c1cccc(C(F)(F)F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/2C22H19F3N4O2S/c23-22(24,25)15-4-3-5-16(14-15)32(30,31)29-11-8-18-20(29)17-6-1-2-7-19(17)27-21(18)28-12-9-26-10-13-28;23-22(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/h1-8,11,14,26H,9-10,12-13H2;1-9,12,26H,10-11,13-14H2
InChIKeyFRIYVEAXTNMBKI-UHFFFAOYSA-N
XLogP7.71
TPSA134.46 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.96
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Related Compounds

1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469115
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469046
1-(4-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469116
1-(2,5-Difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469117
1-(3,4-Difluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469118
4-Piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
CID 90469183
4-Piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
CID 90469184
1-(3-Methylphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469187
4-Piperazin-1-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolo[3,2-c]quinoline
CID 90469188
1-Naphthalen-1-ylsulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469252
1-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469319
1-(3-Fluorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 90469381

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
The IUPAC name of 4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline (CID 158118872) is 4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;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.O=S(=O)(c1cccc(C(F)(F)F)c1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
The InChIKey is FRIYVEAXTNMBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H19F3N4O2S/c23-22(24,25)15-4-3-5-16(14-15)32(30,31)29-11-8-18-20(29)17-6-1-2-7-19(17)27-21(18)28-12-9-26-10-13-28;23-22(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/h1-8,11,14,26H,9-10,12-13H2;1-9,12,26H,10-11,13-14H2.
What are the key properties of 4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
4-piperazin-1-yl-1-[3-(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 920.96 g/mol, XLogP of 7.71, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 158118872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).