1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

C13H13N3O3 — CID 81108917

IUPAC1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCc1noc(Cn2c3c(ccc2=O)C(=O)CCC3)n1
InChIInChI=1S/C13H13N3O3/c1-8-14-12(19-15-8)7-16-10-3-2-4-11(17)9(10)5-6-13(16)18/h5-6H,2-4,7H2,1H3
InChIKeyLLAJNFZQMZNPLO-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.11
Rot. Bonds2

About 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81108917) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81108917
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCc1noc(Cn2c3c(ccc2=O)C(=O)CCC3)n1
InChIInChI=1S/C13H13N3O3/c1-8-14-12(19-15-8)7-16-10-3-2-4-11(17)9(10)5-6-13(16)18/h5-6H,2-4,7H2,1H3
InChIKeyLLAJNFZQMZNPLO-UHFFFAOYSA-N
XLogP1.11
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81108917) is 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is Cc1noc(Cn2c3c(ccc2=O)C(=O)CCC3)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is LLAJNFZQMZNPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-14-12(19-15-8)7-16-10-3-2-4-11(17)9(10)5-6-13(16)18/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 259.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81108917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).