4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol

C15H19NO2 — CID 13230615

IUPAC4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
SMILESC#CC1(O)CC(c2ccco2)NC2CCCCC21
InChIInChI=1S/C15H19NO2/c1-2-15(17)10-13(14-8-5-9-18-14)16-12-7-4-3-6-11(12)15/h1,5,8-9,11-13,16-17H,3-4,6-7,10H2
InChIKeyKIJRYHLMGVREHG-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.24
Rot. Bonds1

About 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol

4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol (PubChem CID 13230615) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol.

Molecular Properties

Compound Name4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
PubChem CID13230615
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
SMILESC#CC1(O)CC(c2ccco2)NC2CCCCC21
InChIInChI=1S/C15H19NO2/c1-2-15(17)10-13(14-8-5-9-18-14)16-12-7-4-3-6-11(12)15/h1,5,8-9,11-13,16-17H,3-4,6-7,10H2
InChIKeyKIJRYHLMGVREHG-UHFFFAOYSA-N
XLogP2.24
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-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 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
The IUPAC name of 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol (CID 13230615) is 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol.
What is the SMILES notation for 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
The canonical SMILES for 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol is C#CC1(O)CC(c2ccco2)NC2CCCCC21.
What is the InChIKey of 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
The InChIKey is KIJRYHLMGVREHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-15(17)10-13(14-8-5-9-18-14)16-12-7-4-3-6-11(12)15/h1,5,8-9,11-13,16-17H,3-4,6-7,10H2.
What are the key properties of 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol?
4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol has a molecular weight of 245.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-(furan-2-yl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol is sourced from PubChem (CID 13230615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).