1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione

C12H11N3O3 — CID 81105191

IUPAC1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1ncon1
InChIInChI=1S/C12H11N3O3/c16-10-3-1-2-9-8(10)4-5-12(17)15(9)6-11-13-7-18-14-11/h4-5,7H,1-3,6H2
InChIKeyCOIJIUOCPVWTBZ-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.80
Rot. Bonds2

About 1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81105191) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81105191
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1ncon1
InChIInChI=1S/C12H11N3O3/c16-10-3-1-2-9-8(10)4-5-12(17)15(9)6-11-13-7-18-14-11/h4-5,7H,1-3,6H2
InChIKeyCOIJIUOCPVWTBZ-UHFFFAOYSA-N
XLogP0.80
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 81105191) is 1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2Cc1ncon1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is COIJIUOCPVWTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-10-3-1-2-9-8(10)4-5-12(17)15(9)6-11-13-7-18-14-11/h4-5,7H,1-3,6H2.
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 245.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81105191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).