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

C24H22FNO3 — CID 3652381

IUPAC(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C24H22FNO3/c1-28-21-14-17-12-13-26(24(27)18-10-6-7-11-20(18)25)23(16-8-4-3-5-9-16)19(17)15-22(21)29-2/h3-11,14-15,23H,12-13H2,1-2H3
InChIKeyRCROUZKLHAAHNC-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.63
Rot. Bonds4

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

(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone (PubChem CID 3652381) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone
PubChem CID3652381
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccccc1F)CC2
InChIInChI=1S/C24H22FNO3/c1-28-21-14-17-12-13-26(24(27)18-10-6-7-11-20(18)25)23(16-8-4-3-5-9-16)19(17)15-22(21)29-2/h3-11,14-15,23H,12-13H2,1-2H3
InChIKeyRCROUZKLHAAHNC-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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)-(2-fluorophenyl)methanone?
The IUPAC name of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone (CID 3652381) is (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone is COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccccc1F)CC2.
What is the InChIKey of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone?
The InChIKey is RCROUZKLHAAHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c1-28-21-14-17-12-13-26(24(27)18-10-6-7-11-20(18)25)23(16-8-4-3-5-9-16)19(17)15-22(21)29-2/h3-11,14-15,23H,12-13H2,1-2H3.
What are the key properties of (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone?
(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone has a molecular weight of 391.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 3652381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).