6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one

C14H13N3O3 — CID 12836979

IUPAC6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCc3nnco3)ccc2[nH]1
InChIInChI=1S/C14H13N3O3/c18-13-6-3-10-8-11(4-5-12(10)16-13)19-7-1-2-14-17-15-9-20-14/h3-6,8-9H,1-2,7H2,(H,16,18)
InChIKeyPCFWDEJLKWTDMF-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.92
Rot. Bonds5

About 6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one

6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one (PubChem CID 12836979) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one
PubChem CID12836979
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one
SMILESO=c1ccc2cc(OCCCc3nnco3)ccc2[nH]1
InChIInChI=1S/C14H13N3O3/c18-13-6-3-10-8-11(4-5-12(10)16-13)19-7-1-2-14-17-15-9-20-14/h3-6,8-9H,1-2,7H2,(H,16,18)
InChIKeyPCFWDEJLKWTDMF-UHFFFAOYSA-N
XLogP1.92
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one?
The IUPAC name of 6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one (CID 12836979) is 6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one is O=c1ccc2cc(OCCCc3nnco3)ccc2[nH]1.
What is the InChIKey of 6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one?
The InChIKey is PCFWDEJLKWTDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13-6-3-10-8-11(4-5-12(10)16-13)19-7-1-2-14-17-15-9-20-14/h3-6,8-9H,1-2,7H2,(H,16,18).
What are the key properties of 6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one?
6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one has a molecular weight of 271.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,3,4-oxadiazol-2-yl)propoxy]-1H-quinolin-2-one is sourced from PubChem (CID 12836979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).