3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one

C19H16FN3O3 — CID 17435642

IUPAC3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCCc2ccccc21
InChIInChI=1S/C19H16FN3O3/c20-15-9-7-14(8-10-15)18-21-23(19(25)26-18)12-17(24)22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-10H,3,5,11-12H2
InChIKeyGLGLNXKSRYODPC-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.62
Rot. Bonds3

About 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 17435642) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID17435642
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCCc2ccccc21
InChIInChI=1S/C19H16FN3O3/c20-15-9-7-14(8-10-15)18-21-23(19(25)26-18)12-17(24)22-11-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-10H,3,5,11-12H2
InChIKeyGLGLNXKSRYODPC-UHFFFAOYSA-N
XLogP2.62
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (CID 17435642) is 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1CCCc2ccccc21.
What is the InChIKey of 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is GLGLNXKSRYODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-15-9-7-14(8-10-15)18-21-23(19(25)26-18)12-17(24)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 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 353.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 17435642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).