2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline

C17H21N3O — CID 133469063

IUPAC2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline
SMILESCCOc1ccc2c(c1)CN(c1nc(C)cnc1C)CC2
InChIInChI=1S/C17H21N3O/c1-4-21-16-6-5-14-7-8-20(11-15(14)9-16)17-13(3)18-10-12(2)19-17/h5-6,9-10H,4,7-8,11H2,1-3H3
InChIKeyZUYIINHVIUDXDY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.05
Rot. Bonds3

About 2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline

2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 133469063) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline
PubChem CID133469063
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline
SMILESCCOc1ccc2c(c1)CN(c1nc(C)cnc1C)CC2
InChIInChI=1S/C17H21N3O/c1-4-21-16-6-5-14-7-8-20(11-15(14)9-16)17-13(3)18-10-12(2)19-17/h5-6,9-10H,4,7-8,11H2,1-3H3
InChIKeyZUYIINHVIUDXDY-UHFFFAOYSA-N
XLogP3.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 71882683
2-(3,6-dimethylpyrazin-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 133470623
propan-2-yl 2-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylate
CID 133469086
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133
2-[2-(difluoromethylsulfonyl)phenyl]-7-ethoxy-3,4-dihydro-1H-isoquinoline
CID 133304233
2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394769
1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 111106106
2-(2,6-dimethylpyrimidin-4-yl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 56819735
2-chloro-1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166403837
(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-ethylcyclobutyl)methanone
CID 167991950
7-ethoxy-N-pyridin-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86869103
3-methyl-5-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-thiadiazole
CID 133394788

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline (CID 133469063) is 2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline is CCOc1ccc2c(c1)CN(c1nc(C)cnc1C)CC2.
What is the InChIKey of 2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZUYIINHVIUDXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-21-16-6-5-14-7-8-20(11-15(14)9-16)17-13(3)18-10-12(2)19-17/h5-6,9-10H,4,7-8,11H2,1-3H3.
What are the key properties of 2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline?
2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 283.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethylpyrazin-2-yl)-7-ethoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133469063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).