3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol

C14H18BrNO2 — CID 11335929

IUPAC3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
SMILESOCCC[C@H]1Nc2ccc(Br)cc2[C@H]2OCC[C@H]21
InChIInChI=1S/C14H18BrNO2/c15-9-3-4-13-11(8-9)14-10(5-7-18-14)12(16-13)2-1-6-17/h3-4,8,10,12,14,16-17H,1-2,5-7H2/t10-,12+,14-/m0/s1
InChIKeyZRTVMEMFKQBHSZ-SUHUHFCYSA-N
MW312.21 g/mol
LogP3.09
Rot. Bonds3

About 3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol

3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol (PubChem CID 11335929) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
PubChem CID11335929
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
SMILESOCCC[C@H]1Nc2ccc(Br)cc2[C@H]2OCC[C@H]21
InChIInChI=1S/C14H18BrNO2/c15-9-3-4-13-11(8-9)14-10(5-7-18-14)12(16-13)2-1-6-17/h3-4,8,10,12,14,16-17H,1-2,5-7H2/t10-,12+,14-/m0/s1
InChIKeyZRTVMEMFKQBHSZ-SUHUHFCYSA-N
XLogP3.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3aS,4R,9bS)-8-bromo-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-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The IUPAC name of 3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol (CID 11335929) is 3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The canonical SMILES for 3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol is OCCC[C@H]1Nc2ccc(Br)cc2[C@H]2OCC[C@H]21.
What is the InChIKey of 3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The InChIKey is ZRTVMEMFKQBHSZ-SUHUHFCYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-9-3-4-13-11(8-9)14-10(5-7-18-14)12(16-13)2-1-6-17/h3-4,8,10,12,14,16-17H,1-2,5-7H2/t10-,12+,14-/m0/s1.
What are the key properties of 3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol has a molecular weight of 312.21 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol is sourced from PubChem (CID 11335929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).