2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C24H30N2O4 — CID 118720492

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)NC1CCCc3c(OC)cccc31)CC2
InChIInChI=1S/C24H30N2O4/c1-28-21-9-5-6-18-19(21)7-4-8-20(18)25-24(27)15-26-11-10-16-12-22(29-2)23(30-3)13-17(16)14-26/h5-6,9,12-13,20H,4,7-8,10-11,14-15H2,1-3H3,(H,25,27)
InChIKeyXMRRSJYVQYHFOP-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.26
Rot. Bonds6

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 118720492) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID118720492
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)NC1CCCc3c(OC)cccc31)CC2
InChIInChI=1S/C24H30N2O4/c1-28-21-9-5-6-18-19(21)7-4-8-20(18)25-24(27)15-26-11-10-16-12-22(29-2)23(30-3)13-17(16)14-26/h5-6,9,12-13,20H,4,7-8,10-11,14-15H2,1-3H3,(H,25,27)
InChIKeyXMRRSJYVQYHFOP-UHFFFAOYSA-N
XLogP3.26
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 51003171
3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10611920
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10764762
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
N-(cyclopentylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8760393
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 118720491
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetohydrazide
CID 30617763
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9168063
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131
2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22742765
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8760829
methyl 4-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]benzoate
CID 8760683

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 118720492) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1cc2c(cc1OC)CN(CC(=O)NC1CCCc3c(OC)cccc31)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is XMRRSJYVQYHFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-28-21-9-5-6-18-19(21)7-4-8-20(18)25-24(27)15-26-11-10-16-12-22(29-2)23(30-3)13-17(16)14-26/h5-6,9,12-13,20H,4,7-8,10-11,14-15H2,1-3H3,(H,25,27).
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 410.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 118720492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).