5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole

C18H18N4O2 — CID 133450528

IUPAC5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1cccc2c1CCN(c1ncccc1-c1nc(C)no1)C2
InChIInChI=1S/C18H18N4O2/c1-12-20-18(24-21-12)15-6-4-9-19-17(15)22-10-8-14-13(11-22)5-3-7-16(14)23-2/h3-7,9H,8,10-11H2,1-2H3
InChIKeyHUEAKZUEONRMTF-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.01
Rot. Bonds3

About 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole

5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 133450528) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
PubChem CID133450528
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1cccc2c1CCN(c1ncccc1-c1nc(C)no1)C2
InChIInChI=1S/C18H18N4O2/c1-12-20-18(24-21-12)15-6-4-9-19-17(15)22-10-8-14-13(11-22)5-3-7-16(14)23-2/h3-7,9H,8,10-11H2,1-2H3
InChIKeyHUEAKZUEONRMTF-UHFFFAOYSA-N
XLogP3.01
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (CID 133450528) is 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is COc1cccc2c1CCN(c1ncccc1-c1nc(C)no1)C2.
What is the InChIKey of 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is HUEAKZUEONRMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-20-18(24-21-12)15-6-4-9-19-17(15)22-10-8-14-13(11-22)5-3-7-16(14)23-2/h3-7,9H,8,10-11H2,1-2H3.
What are the key properties of 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 322.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 133450528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).