2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide

C22H27FN2O4 — CID 59720668

IUPAC2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide
SMILESCOc1cc2c(cc1C)CN(CNC(=O)c1cc(C)cc(OC)c1OCF)CC2
InChIInChI=1S/C22H27FN2O4/c1-14-7-18(21(29-12-23)20(8-14)28-4)22(26)24-13-25-6-5-16-10-19(27-3)15(2)9-17(16)11-25/h7-10H,5-6,11-13H2,1-4H3,(H,24,26)
InChIKeyNNLZBNYWVLPJQE-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.37
Rot. Bonds7

About 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide

2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide (PubChem CID 59720668) has the molecular formula C22H27FN2O4 and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide
PubChem CID59720668
Molecular FormulaC22H27FN2O4
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Name2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide
SMILESCOc1cc2c(cc1C)CN(CNC(=O)c1cc(C)cc(OC)c1OCF)CC2
InChIInChI=1S/C22H27FN2O4/c1-14-7-18(21(29-12-23)20(8-14)28-4)22(26)24-13-25-6-5-16-10-19(27-3)15(2)9-17(16)11-25/h7-10H,5-6,11-13H2,1-4H3,(H,24,26)
InChIKeyNNLZBNYWVLPJQE-UHFFFAOYSA-N
XLogP3.37
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide with MolForge

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Related Compounds

N-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(fluoromethoxy)-3-methoxy-5-tributylstannylbenzamide
CID 59167010
N-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(fluoromethoxy)-3-(hydroxymethyl)-5-tributylstannylbenzamide
CID 58444225
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-iodo-2,3-dimethoxybenzamide
CID 25184874
[3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylcarbamoyl]-4,5-dimethoxyphenyl](211At)astatine-211
CID 140876397
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-hydroxyethoxy)-5-methylbenzamide
CID 16737767
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl chloride
CID 142769161
3-(7-methoxy-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid
CID 143275319
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetohydrazide
CID 30617763
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-(2-(18F)fluoroethoxy)-3-(hydroxymethyl)-5-iodo(18F)benzamide
CID 58444227
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,3-dimethoxy-5-tributylstannylbenzamide
CID 140876394
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,3,5-trimethylphenoxy)ethanone
CID 51323220

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide?
The IUPAC name of 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide (CID 59720668) is 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide is COc1cc2c(cc1C)CN(CNC(=O)c1cc(C)cc(OC)c1OCF)CC2.
What is the InChIKey of 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide?
The InChIKey is NNLZBNYWVLPJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4/c1-14-7-18(21(29-12-23)20(8-14)28-4)22(26)24-13-25-6-5-16-10-19(27-3)15(2)9-17(16)11-25/h7-10H,5-6,11-13H2,1-4H3,(H,24,26).
What are the key properties of 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide?
2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide has a molecular weight of 402.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxy)-3-methoxy-N-[(6-methoxy-7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylbenzamide is sourced from PubChem (CID 59720668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).