1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline

C43H38F2N6O6S2 — CID 159030080

IUPAC1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
SMILESCc1cccc(S(=O)(=O)n2ccc3c(OC4CCNC4)nc4ccccc4c32)c1.O=S(=O)(c1cc(F)ccc1F)n1ccc2c(OC3CCNC3)nc3ccccc3c21
InChIInChI=1S/C22H21N3O3S.C21H17F2N3O3S/c1-15-5-4-6-17(13-15)29(26,27)25-12-10-19-21(25)18-7-2-3-8-20(18)24-22(19)28-16-9-11-23-14-16;22-13-5-6-17(23)19(11-13)30(27,28)26-10-8-16-20(26)15-3-1-2-4-18(15)25-21(16)29-14-7-9-24-12-14/h2-8,10,12-13,16,23H,9,11,14H2,1H3;1-6,8,10-11,14,24H,7,9,12H2
InChIKeyJUTSVNHLZGPLJR-UHFFFAOYSA-N
MW836.94 g/mol
LogP6.92
Rot. Bonds8

About 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline

1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline (PubChem CID 159030080) has the molecular formula C43H38F2N6O6S2 and a molecular weight of 836.94 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
PubChem CID159030080
Molecular FormulaC43H38F2N6O6S2
Molecular Weight836.94 g/mol
Exact Mass836.23
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
SMILESCc1cccc(S(=O)(=O)n2ccc3c(OC4CCNC4)nc4ccccc4c32)c1.O=S(=O)(c1cc(F)ccc1F)n1ccc2c(OC3CCNC3)nc3ccccc3c21
InChIInChI=1S/C22H21N3O3S.C21H17F2N3O3S/c1-15-5-4-6-17(13-15)29(26,27)25-12-10-19-21(25)18-7-2-3-8-20(18)24-22(19)28-16-9-11-23-14-16;22-13-5-6-17(23)19(11-13)30(27,28)26-10-8-16-20(26)15-3-1-2-4-18(15)25-21(16)29-14-7-9-24-12-14/h2-8,10,12-13,16,23H,9,11,14H2,1H3;1-6,8,10-11,14,24H,7,9,12H2
InChIKeyJUTSVNHLZGPLJR-UHFFFAOYSA-N
XLogP6.92
TPSA146.44 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500836.94
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[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-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine
CID 164612723
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)ethane-1,2-diamine
CID 164614987
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine
CID 164616626
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
CID 164627753
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]-N'-(1,2,3,4-tetrahydroacridin-9-yl)butane-1,4-diamine
CID 164629021
1-(2,5-Difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
CID 90469655
2-[6-fluoro-1-(3-fluorophenyl)sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-(6-fluoro-1-methylsulfonylindol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine;2-[6-fluoro-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
CID 162189457
1-(3-Methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
CID 90469587
4-[2-[4-[(2-ethylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-N-methylbenzenesulfonamide
CID 44628271

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline (CID 159030080) is 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline is Cc1cccc(S(=O)(=O)n2ccc3c(OC4CCNC4)nc4ccccc4c32)c1.O=S(=O)(c1cc(F)ccc1F)n1ccc2c(OC3CCNC3)nc3ccccc3c21.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
The InChIKey is JUTSVNHLZGPLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S.C21H17F2N3O3S/c1-15-5-4-6-17(13-15)29(26,27)25-12-10-19-21(25)18-7-2-3-8-20(18)24-22(19)28-16-9-11-23-14-16;22-13-5-6-17(23)19(11-13)30(27,28)26-10-8-16-20(26)15-3-1-2-4-18(15)25-21(16)29-14-7-9-24-12-14/h2-8,10,12-13,16,23H,9,11,14H2,1H3;1-6,8,10-11,14,24H,7,9,12H2.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline has a molecular weight of 836.94 g/mol, XLogP of 6.92, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline;1-(3-methylphenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline is sourced from PubChem (CID 159030080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).