3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone

C16H17NO2 — CID 18108187

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc3C2)c(C)o1
InChIInChI=1S/C16H17NO2/c1-11-9-15(12(2)19-11)16(18)17-8-7-13-5-3-4-6-14(13)10-17/h3-6,9H,7-8,10H2,1-2H3
InChIKeyVLBLCAWUUBCSHZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.09
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 18108187) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone
PubChem CID18108187
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc3C2)c(C)o1
InChIInChI=1S/C16H17NO2/c1-11-9-15(12(2)19-11)16(18)17-8-7-13-5-3-4-6-14(13)10-17/h3-6,9H,7-8,10H2,1-2H3
InChIKeyVLBLCAWUUBCSHZ-UHFFFAOYSA-N
XLogP3.09
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone 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 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone (CID 18108187) is 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCc3ccccc3C2)c(C)o1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is VLBLCAWUUBCSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-9-15(12(2)19-11)16(18)17-8-7-13-5-3-4-6-14(13)10-17/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 18108187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).