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

C44H41F3N8O5S2 — CID 159438841

IUPAC1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
SMILESCOc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1.O=S(=O)(c1ccc(C(F)(F)F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C22H19F3N4O2S.C22H22N4O3S/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;1-29-16-5-4-6-17(15-16)30(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/h1-9,12,26H,10-11,13-14H2;2-9,12,15,23H,10-11,13-14H2,1H3
InChIKeyLRXMVQFYZGOGMG-UHFFFAOYSA-N
MW882.99 g/mol
LogP6.70
Rot. Bonds7

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

1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline (PubChem CID 159438841) has the molecular formula C44H41F3N8O5S2 and a molecular weight of 882.99 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
PubChem CID159438841
Molecular FormulaC44H41F3N8O5S2
Molecular Weight882.99 g/mol
Exact Mass882.26
IUPAC Name1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline
SMILESCOc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1.O=S(=O)(c1ccc(C(F)(F)F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C22H19F3N4O2S.C22H22N4O3S/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;1-29-16-5-4-6-17(15-16)30(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/h1-9,12,26H,10-11,13-14H2;2-9,12,15,23H,10-11,13-14H2,1H3
InChIKeyLRXMVQFYZGOGMG-UHFFFAOYSA-N
XLogP6.70
TPSA143.69 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.99
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine
CID 10185400
1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469185
3-N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-1-N-(4-methoxyquinolin-2-yl)cyclohexane-1,3-diamine
CID 44534765
4-methoxy-N-[3-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide
CID 172438509
5-methyl-N-[2-[4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine
CID 25120568
5-methyl-N-[2-[4-[3-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine
CID 25120569
5-methyl-N-[2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]ethyl]-1,6-naphthyridin-2-amine
CID 25120570
N-quinolin-3-yl-6-[3-(trifluoromethoxy)phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42644327
N-[6-[2-(trifluoromethoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
CID 46213215
N-[[4-[[[4-[methyl(2-pyridin-2-ylethyl)amino]quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 57714904
N-[2-(2-piperazin-1-ylpyridin-4-yl)-6-(pyrazin-2-ylamino)pyridin-4-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 67128064
6-[4-(difluoromethoxy)phenyl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68844862

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline (CID 159438841) is 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline is COc1cccc(S(=O)(=O)n2ccc3c(N4CCNCC4)nc4ccccc4c32)c1.O=S(=O)(c1ccc(C(F)(F)F)cc1)n1ccc2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
The InChIKey is LRXMVQFYZGOGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2S.C22H22N4O3S/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;1-29-16-5-4-6-17(15-16)30(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/h1-9,12,26H,10-11,13-14H2;2-9,12,15,23H,10-11,13-14H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline?
1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline has a molecular weight of 882.99 g/mol, XLogP of 6.70, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline;4-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolo[3,2-c]quinoline is sourced from PubChem (CID 159438841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).