(3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline

C20H33N3O3S — CID 3086401

💊View drug profile → quinagolide
IUPAC(3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
SMILESCCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@H]21
InChIInChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1
InChIKeyGDFGTRDCCWFXTG-ZIFCJYIRSA-N
MW395.57 g/mol
LogP2.14
Rot. Bonds7

About (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline

(3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline (PubChem CID 3086401) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline.

Molecular Properties

Compound Name(3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
PubChem CID3086401
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC Name(3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
SMILESCCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@H]21
InChIInChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1
InChIKeyGDFGTRDCCWFXTG-ZIFCJYIRSA-N
XLogP2.14
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]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

Norprolac;SDZ 205-502;CV 205-502
CID 55645
(4aR,10aR)-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline-6,7-diol
CID 21786101
Quinagolide hydrochloride
CID 76966248
1-((E)-3-Iodo-allyl)-1,2,3,4,4a,5,10,10a-octahydro-benzo[g]quinolin-6-ol
CID 10361722
(6R,7R)-6-(dipropylamino)-7-methyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 13805900
(4aR,10aR)-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-ol;2,2,2-trifluoroacetic acid
CID 76335466
N-n-propyl-7-hydroxyoctahydrobenzo(f)quinoline
CID 137303
1,2,3,4,4a,5,6,10b-Octahydro-benzo[f]quinolin-7-ol
CID 9882257
Trans-1,2,3,4,4a,5,10,10a-octahydro-6-hydroxy-N-n-propylbenzo[g]quinoline
CID 13851595
7-Hydroxy-4-Phenethyl-1,2,3,4,4a,5,6,10b-Octahydrobenzo[f]Quinoline
CID 14039941
4-Propyl-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quinolin-7-ol
CID 14039958
4-Propyl-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quinolin-9-ol
CID 14039976

Frequently Asked Questions

What is the IUPAC name of (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline?
The IUPAC name of (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline (CID 3086401) is (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline.
What is the SMILES notation for (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline?
The canonical SMILES for (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline is CCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@H]21.
What is the InChIKey of (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline?
The InChIKey is GDFGTRDCCWFXTG-ZIFCJYIRSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1.
What are the key properties of (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline?
(3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline has a molecular weight of 395.57 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline is sourced from PubChem (CID 3086401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).