(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone

C22H21NO4 — CID 2938063

IUPAC(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccco1)CC2
InChIInChI=1S/C22H21NO4/c1-25-19-13-16-10-11-23(22(24)18-9-6-12-27-18)21(15-7-4-3-5-8-15)17(16)14-20(19)26-2/h3-9,12-14,21H,10-11H2,1-2H3
InChIKeyDDLSXGSTTFWRJG-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.08
Rot. Bonds4

About (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone

(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone (PubChem CID 2938063) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone
PubChem CID2938063
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccco1)CC2
InChIInChI=1S/C22H21NO4/c1-25-19-13-16-10-11-23(22(24)18-9-6-12-27-18)21(15-7-4-3-5-8-15)17(16)14-20(19)26-2/h3-9,12-14,21H,10-11H2,1-2H3
InChIKeyDDLSXGSTTFWRJG-UHFFFAOYSA-N
XLogP4.08
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone?
The IUPAC name of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone (CID 2938063) is (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone is COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccco1)CC2.
What is the InChIKey of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone?
The InChIKey is DDLSXGSTTFWRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-25-19-13-16-10-11-23(22(24)18-9-6-12-27-18)21(15-7-4-3-5-8-15)17(16)14-20(19)26-2/h3-9,12-14,21H,10-11H2,1-2H3.
What are the key properties of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone?
(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone has a molecular weight of 363.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 2938063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).