3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone

C20H17NO2 — CID 35396832

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccco2)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C20H17NO2/c22-20(21-12-11-15-4-1-2-5-18(15)14-21)17-9-7-16(8-10-17)19-6-3-13-23-19/h1-10,13H,11-12,14H2
InChIKeySOXLZEJHRDQNIV-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.15
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone (PubChem CID 35396832) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone
PubChem CID35396832
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccco2)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C20H17NO2/c22-20(21-12-11-15-4-1-2-5-18(15)14-21)17-9-7-16(8-10-17)19-6-3-13-23-19/h1-10,13H,11-12,14H2
InChIKeySOXLZEJHRDQNIV-UHFFFAOYSA-N
XLogP4.15
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 175729357
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 174919196
5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl-(4-phenylphenyl)methanone
CID 19600091
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423
3,4-dihydro-1H-isoquinolin-2-yl-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 78844850
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 1428300
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
CID 71690378
[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 175729597
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
N-[[7-[4-(furan-2-yl)benzoyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylsulfanylacetamide
CID 25295566
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone (CID 35396832) is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone is O=C(c1ccc(-c2ccco2)cc1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone?
The InChIKey is SOXLZEJHRDQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c22-20(21-12-11-15-4-1-2-5-18(15)14-21)17-9-7-16(8-10-17)19-6-3-13-23-19/h1-10,13H,11-12,14H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-yl)phenyl]methanone has a molecular weight of 303.36 g/mol, XLogP of 4.15, 2 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-[4-(furan-2-yl)phenyl]methanone is sourced from PubChem (CID 35396832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).