3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol

C16H23NO3 — CID 102513448

IUPAC3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
SMILESCCOc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](CCCO)N2
InChIInChI=1S/C16H23NO3/c1-2-19-11-5-6-15-13(10-11)16-12(7-9-20-16)14(17-15)4-3-8-18/h5-6,10,12,14,16-18H,2-4,7-9H2,1H3/t12-,14-,16-/m1/s1
InChIKeyLAAZOTUBYOJPNQ-XNRPHZJLSA-N
MW277.36 g/mol
LogP2.73
Rot. Bonds5

About 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol

3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol (PubChem CID 102513448) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
PubChem CID102513448
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
SMILESCCOc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](CCCO)N2
InChIInChI=1S/C16H23NO3/c1-2-19-11-5-6-15-13(10-11)16-12(7-9-20-16)14(17-15)4-3-8-18/h5-6,10,12,14,16-18H,2-4,7-9H2,1H3/t12-,14-,16-/m1/s1
InChIKeyLAAZOTUBYOJPNQ-XNRPHZJLSA-N
XLogP2.73
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol 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 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The IUPAC name of 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol (CID 102513448) is 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The canonical SMILES for 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol is CCOc1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](CCCO)N2.
What is the InChIKey of 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The InChIKey is LAAZOTUBYOJPNQ-XNRPHZJLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-19-11-5-6-15-13(10-11)16-12(7-9-20-16)14(17-15)4-3-8-18/h5-6,10,12,14,16-18H,2-4,7-9H2,1H3/t12-,14-,16-/m1/s1.
What are the key properties of 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol has a molecular weight of 277.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol is sourced from PubChem (CID 102513448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).