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

C18H16FN3O — CID 31337835

IUPAC2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1
InChIInChI=1S/C18H16FN3O/c19-15-9-7-14(8-10-15)18-21-20-17(23-18)12-22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-10H,3,5,11-12H2
InChIKeyVMBQELNFHLYRRZ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.83
Rot. Bonds3

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

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 31337835) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID31337835
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1
InChIInChI=1S/C18H16FN3O/c19-15-9-7-14(8-10-15)18-21-20-17(23-18)12-22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-10H,3,5,11-12H2
InChIKeyVMBQELNFHLYRRZ-UHFFFAOYSA-N
XLogP3.83
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.83
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-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 31337835) is 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is VMBQELNFHLYRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-15-9-7-14(8-10-15)18-21-20-17(23-18)12-22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-10H,3,5,11-12H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 309.34 g/mol, XLogP of 3.83, 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-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 31337835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).