2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide

C20H28N4O3 — CID 51598595

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)N[C@H](C)c1cn(C)nc1C)CC2
InChIInChI=1S/C20H28N4O3/c1-13(17-11-23(3)22-14(17)2)21-20(25)12-24-7-6-15-8-18(26-4)19(27-5)9-16(15)10-24/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,21,25)/t13-/m1/s1
InChIKeyWYSPOIWZVJWVGY-CYBMUJFWSA-N
MW372.47 g/mol
LogP1.98
Rot. Bonds6

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 51598595) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID51598595
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)N[C@H](C)c1cn(C)nc1C)CC2
InChIInChI=1S/C20H28N4O3/c1-13(17-11-23(3)22-14(17)2)21-20(25)12-24-7-6-15-8-18(26-4)19(27-5)9-16(15)10-24/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,21,25)/t13-/m1/s1
InChIKeyWYSPOIWZVJWVGY-CYBMUJFWSA-N
XLogP1.98
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8786713
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8760829
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8786735
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetohydrazide
CID 30617763
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 119036336
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 110855217
propan-2-yl 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetate
CID 60690207
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl chloride
CID 142769161
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 56703138
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 41367206

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide (CID 51598595) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide is COc1cc2c(cc1OC)CN(CC(=O)N[C@H](C)c1cn(C)nc1C)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is WYSPOIWZVJWVGY-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13(17-11-23(3)22-14(17)2)21-20(25)12-24-7-6-15-8-18(26-4)19(27-5)9-16(15)10-24/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,21,25)/t13-/m1/s1.
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 51598595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).