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

C19H21FN2O3 — CID 4902156

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C19H21FN2O3/c1-24-17-9-13-7-8-22(11-14(13)10-18(17)25-2)12-19(23)21-16-5-3-15(20)4-6-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyBLCFFEXPCKNKFT-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.84
Rot. Bonds5

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

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 4902156) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide
PubChem CID4902156
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C19H21FN2O3/c1-24-17-9-13-7-8-22(11-14(13)10-18(17)25-2)12-19(23)21-16-5-3-15(20)4-6-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,23)
InChIKeyBLCFFEXPCKNKFT-UHFFFAOYSA-N
XLogP2.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide (CID 4902156) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide is COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(F)cc1)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is BLCFFEXPCKNKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-17-9-13-7-8-22(11-14(13)10-18(17)25-2)12-19(23)21-16-5-3-15(20)4-6-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4902156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).