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

C15H15NO2 — CID 42710493

IUPACfuran-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1c2ccccc2CCN1C(=O)c1ccco1
InChIInChI=1S/C15H15NO2/c1-11-13-6-3-2-5-12(13)8-9-16(11)15(17)14-7-4-10-18-14/h2-7,10-11H,8-9H2,1H3
InChIKeyYSHNCUPQQFLRGR-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.04
Rot. Bonds1

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

furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 42710493) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID42710493
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namefuran-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1c2ccccc2CCN1C(=O)c1ccco1
InChIInChI=1S/C15H15NO2/c1-11-13-6-3-2-5-12(13)8-9-16(11)15(17)14-7-4-10-18-14/h2-7,10-11H,8-9H2,1H3
InChIKeyYSHNCUPQQFLRGR-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

furan-2-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 42691571
furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 53194905
furan-2-yl-(6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2898369
[4-(aminomethyl)phenyl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119320591
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
1-azabicyclo[2.2.2]octan-4-yl 1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 54473596
N-[4-(1-ethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]furan-2-carboxamide
CID 86951744
sodium 1-methyl-3,4-dihydro-1H-isoquinoline-2-carbodithioate
CID 71677706
(5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 146596366
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 102787065
furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 42710493) is furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC1c2ccccc2CCN1C(=O)c1ccco1.
What is the InChIKey of furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is YSHNCUPQQFLRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11-13-6-3-2-5-12(13)8-9-16(11)15(17)14-7-4-10-18-14/h2-7,10-11H,8-9H2,1H3.
What are the key properties of furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 42710493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).