(3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol

C20H24N2O3S — CID 11349284

IUPAC(3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol
SMILESCC[C@@H]1[C@H]2CCN[C@H]2c2cc(O)ccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-18-16-10-11-21-20(16)17-12-14(23)6-9-19(17)22(18)26(24,25)15-7-4-13(2)5-8-15/h4-9,12,16,18,20-21,23H,3,10-11H2,1-2H3/t16-,18-,20-/m1/s1
InChIKeyQOGRVKHRRBJGPL-YVWKXTFCSA-N
MW372.49 g/mol
LogP3.34
Rot. Bonds3

About (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol

(3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol (PubChem CID 11349284) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol.

Molecular Properties

Compound Name(3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol
PubChem CID11349284
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol
SMILESCC[C@@H]1[C@H]2CCN[C@H]2c2cc(O)ccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-18-16-10-11-21-20(16)17-12-14(23)6-9-19(17)22(18)26(24,25)15-7-4-13(2)5-8-15/h4-9,12,16,18,20-21,23H,3,10-11H2,1-2H3/t16-,18-,20-/m1/s1
InChIKeyQOGRVKHRRBJGPL-YVWKXTFCSA-N
XLogP3.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol with MolForge

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Related Compounds

1-[(3aS,4S,9bR)-8-chloro-4-(iodomethyl)-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]ethanone
CID 101017858
1-[(3aR,4R,9bS)-8-chloro-4-(iodomethyl)-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]ethanone
CID 10554562
4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 11740455
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
(1R,9R)-17-ethyl-8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 6602036
(2R,3S)-3-bromo-5-chloro-2-ethoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 177386607
[5-cyano-2-hydroxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]-triethylazanium bromide
CID 177360683
3-ethyl-4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylazetidin-2-one
CID 19893286
6-hydroxy-1-(4-methylphenyl)sulfonyl-3-pentyl-2,3-dihydroquinolin-4-one
CID 14422762
2-[(2R,3R)-3-ethyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanol
CID 102091018
(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 903484
[(2R)-azetidin-2-yl]methyl 4-methylbenzenesulfonate
CID 174643912

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol?
The IUPAC name of (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol (CID 11349284) is (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol.
What is the SMILES notation for (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol?
The canonical SMILES for (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol is CC[C@@H]1[C@H]2CCN[C@H]2c2cc(O)ccc2N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol?
The InChIKey is QOGRVKHRRBJGPL-YVWKXTFCSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-18-16-10-11-21-20(16)17-12-14(23)6-9-19(17)22(18)26(24,25)15-7-4-13(2)5-8-15/h4-9,12,16,18,20-21,23H,3,10-11H2,1-2H3/t16-,18-,20-/m1/s1.
What are the key properties of (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol?
(3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol has a molecular weight of 372.49 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,9bR)-4-ethyl-5-(4-methylphenyl)sulfonyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,2-c]quinolin-8-ol is sourced from PubChem (CID 11349284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).