(3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

C17H19NOS — CID 6544293

IUPAC(3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cccs1)N2
InChIInChI=1S/C17H19NOS/c1-2-11-5-6-14-13(10-11)17-12(7-8-19-17)16(18-14)15-4-3-9-20-15/h3-6,9-10,12,16-18H,2,7-8H2,1H3/t12-,16-,17-/m0/s1
InChIKeyQYWZUJQAUNKMIP-ZLIFDBKOSA-N
MW285.41 g/mol
LogP4.55
Rot. Bonds2

About (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

(3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 6544293) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID6544293
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESCCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cccs1)N2
InChIInChI=1S/C17H19NOS/c1-2-11-5-6-14-13(10-11)17-12(7-8-19-17)16(18-14)15-4-3-9-20-15/h3-6,9-10,12,16-18H,2,7-8H2,1H3/t12-,16-,17-/m0/s1
InChIKeyQYWZUJQAUNKMIP-ZLIFDBKOSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[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

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 6544293) is (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1cccs1)N2.
What is the InChIKey of (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is QYWZUJQAUNKMIP-ZLIFDBKOSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-11-5-6-14-13(10-11)17-12(7-8-19-17)16(18-14)15-4-3-9-20-15/h3-6,9-10,12,16-18H,2,7-8H2,1H3/t12-,16-,17-/m0/s1.
What are the key properties of (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
(3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 285.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,9bS)-8-ethyl-4-thiophen-2-yl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 6544293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).