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

C15H15NO2 — CID 18108226

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H15NO2/c1-11-7-9-18-14(11)15(17)16-8-6-12-4-2-3-5-13(12)10-16/h2-5,7,9H,6,8,10H2,1H3
InChIKeyNXWJOHIYWWBHPR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.79
Rot. Bonds1

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

3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone (PubChem CID 18108226) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone
PubChem CID18108226
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H15NO2/c1-11-7-9-18-14(11)15(17)16-8-6-12-4-2-3-5-13(12)10-16/h2-5,7,9H,6,8,10H2,1H3
InChIKeyNXWJOHIYWWBHPR-UHFFFAOYSA-N
XLogP2.79
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylfuran-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997302
3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuran-2-yl)methanone
CID 110852371
(3S)-2-(3-methylfuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 30057606
3,4-dihydro-1H-isoquinolin-2-yl-(4,5-dimethyl-1,2-oxazol-3-yl)methanone
CID 110852365
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 36674970
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2H-triazol-4-yl)methanone
CID 110691665
3,4-dihydro-1H-isoquinolin-2-yl(1,3-oxazol-5-yl)methanone
CID 96587626
3,4-dihydro-1H-isoquinolin-2-yl-(7-methyl-1-benzofuran-2-yl)methanone
CID 49014027
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone
CID 35396832
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 79933620
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 5197459

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone (CID 18108226) is 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone?
The InChIKey is NXWJOHIYWWBHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-7-9-18-14(11)15(17)16-8-6-12-4-2-3-5-13(12)10-16/h2-5,7,9H,6,8,10H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 2.79, 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-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 18108226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).