2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole

C18H17N3O — CID 2243296

IUPAC2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1
InChIInChI=1S/C18H17N3O/c1-2-8-15(9-3-1)18-20-19-17(22-18)13-21-12-6-10-14-7-4-5-11-16(14)21/h1-5,7-9,11H,6,10,12-13H2
InChIKeyGOTFOTVSQWHRPI-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.69
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 2243296) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID2243296
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1
InChIInChI=1S/C18H17N3O/c1-2-8-15(9-3-1)18-20-19-17(22-18)13-21-12-6-10-14-7-4-5-11-16(14)21/h1-5,7-9,11H,6,10,12-13H2
InChIKeyGOTFOTVSQWHRPI-UHFFFAOYSA-N
XLogP3.69
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole (CID 2243296) is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is GOTFOTVSQWHRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-8-15(9-3-1)18-20-19-17(22-18)13-21-12-6-10-14-7-4-5-11-16(14)21/h1-5,7-9,11H,6,10,12-13H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole?
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 291.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 2243296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).