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

C14H15N3O3 — CID 81109376

IUPAC1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCCc1noc(Cn2c3c(ccc2=O)C(=O)CCC3)n1
InChIInChI=1S/C14H15N3O3/c1-2-12-15-13(20-16-12)8-17-10-4-3-5-11(18)9(10)6-7-14(17)19/h6-7H,2-5,8H2,1H3
InChIKeyJWAPNTCYNHZDKF-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.36
Rot. Bonds3

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

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81109376) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81109376
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCCc1noc(Cn2c3c(ccc2=O)C(=O)CCC3)n1
InChIInChI=1S/C14H15N3O3/c1-2-12-15-13(20-16-12)8-17-10-4-3-5-11(18)9(10)6-7-14(17)19/h6-7H,2-5,8H2,1H3
InChIKeyJWAPNTCYNHZDKF-UHFFFAOYSA-N
XLogP1.36
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81109376) is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is CCc1noc(Cn2c3c(ccc2=O)C(=O)CCC3)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is JWAPNTCYNHZDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-12-15-13(20-16-12)8-17-10-4-3-5-11(18)9(10)6-7-14(17)19/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 273.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81109376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).