furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C14H13NO3 — CID 47284651

IUPACfuran-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccco1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C14H13NO3/c16-12-4-3-10-5-6-15(9-11(10)8-12)14(17)13-2-1-7-18-13/h1-4,7-8,16H,5-6,9H2
InChIKeyPMUMUENEYPUNGK-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.18
Rot. Bonds1

About furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 47284651) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID47284651
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namefuran-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccco1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C14H13NO3/c16-12-4-3-10-5-6-15(9-11(10)8-12)14(17)13-2-1-7-18-13/h1-4,7-8,16H,5-6,9H2
InChIKeyPMUMUENEYPUNGK-UHFFFAOYSA-N
XLogP2.18
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294059
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,2-oxazol-5-yl)methanone
CID 61328701
3,4-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943248
2,5-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943244
1-bromo-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide
CID 16944023
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide
CID 16943267
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide
CID 16943271
(2,5-dihydroxyphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 107724119
3-chloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16943990
furan-2-yl-(3-methylidenepyrrolidin-1-yl)methanone
CID 164652046
2,5-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16943996
2-(2-chlorophenoxy)-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16943317

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 47284651) is furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1ccco1)N1CCc2ccc(O)cc2C1.
What is the InChIKey of furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is PMUMUENEYPUNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-12-4-3-10-5-6-15(9-11(10)8-12)14(17)13-2-1-7-18-13/h1-4,7-8,16H,5-6,9H2.
What are the key properties of furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 243.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 47284651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).