2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide

C14H20N2O2 — CID 99782007

IUPAC2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide
SMILESCOc1ccc2c(c1)CN(CC(=O)N(C)C)CC2
InChIInChI=1S/C14H20N2O2/c1-15(2)14(17)10-16-7-6-11-4-5-13(18-3)8-12(11)9-16/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyHHUFZVHOXAQFAE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.14
Rot. Bonds3

About 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide

2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide (PubChem CID 99782007) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide
PubChem CID99782007
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide
SMILESCOc1ccc2c(c1)CN(CC(=O)N(C)C)CC2
InChIInChI=1S/C14H20N2O2/c1-15(2)14(17)10-16-7-6-11-4-5-13(18-3)8-12(11)9-16/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyHHUFZVHOXAQFAE-UHFFFAOYSA-N
XLogP1.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 60585254
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86842865
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
N-(5-chloro-2-methoxyphenyl)-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 60585239
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-thiol
CID 89053369
2-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279784
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
N,N-dimethyl-2-(7-nitro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)acetamide
CID 57416161
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17421377
2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 30957291

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide (CID 99782007) is 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide is COc1ccc2c(c1)CN(CC(=O)N(C)C)CC2.
What is the InChIKey of 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide?
The InChIKey is HHUFZVHOXAQFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(2)14(17)10-16-7-6-11-4-5-13(18-3)8-12(11)9-16/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide?
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 99782007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).