5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine

C13H16N4O3 — CID 103436503

IUPAC5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cc2c(cc1OC)CN(c1nnc(N)o1)CC2
InChIInChI=1S/C13H16N4O3/c1-18-10-5-8-3-4-17(13-16-15-12(14)20-13)7-9(8)6-11(10)19-2/h5-6H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyRNGIHDNLZBOZGB-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.23
Rot. Bonds3

About 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine

5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 103436503) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID103436503
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cc2c(cc1OC)CN(c1nnc(N)o1)CC2
InChIInChI=1S/C13H16N4O3/c1-18-10-5-8-3-4-17(13-16-15-12(14)20-13)7-9(8)6-11(10)19-2/h5-6H,3-4,7H2,1-2H3,(H2,14,15)
InChIKeyRNGIHDNLZBOZGB-UHFFFAOYSA-N
XLogP1.23
TPSA86.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(chloromethyl)-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazole
CID 106959078
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80651956
2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 165412726
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine
CID 6407605
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide
CID 141421893
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl-trimethylsilane
CID 10085031
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,7-dimethyl-1,3-benzothiazole
CID 52906595
6,7-dimethoxy-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112884051
4-bromo-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole
CID 79399735
6,7-dimethoxy-2-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 99709158
N-cyclopropyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-5-amine
CID 112939160
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine (CID 103436503) is 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine is COc1cc2c(cc1OC)CN(c1nnc(N)o1)CC2.
What is the InChIKey of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RNGIHDNLZBOZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-18-10-5-8-3-4-17(13-16-15-12(14)20-13)7-9(8)6-11(10)19-2/h5-6H,3-4,7H2,1-2H3,(H2,14,15).
What are the key properties of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine?
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 276.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 103436503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).