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

C15H17N3O3 — CID 81109277

IUPAC1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)c1nc(Cn2c3c(ccc2=O)C(=O)CCC3)no1
InChIInChI=1S/C15H17N3O3/c1-9(2)15-16-13(17-21-15)8-18-11-4-3-5-12(19)10(11)6-7-14(18)20/h6-7,9H,3-5,8H2,1-2H3
InChIKeyNCCHOYNZBWUXGQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.92
Rot. Bonds3

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

1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81109277) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81109277
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)c1nc(Cn2c3c(ccc2=O)C(=O)CCC3)no1
InChIInChI=1S/C15H17N3O3/c1-9(2)15-16-13(17-21-15)8-18-11-4-3-5-12(19)10(11)6-7-14(18)20/h6-7,9H,3-5,8H2,1-2H3
InChIKeyNCCHOYNZBWUXGQ-UHFFFAOYSA-N
XLogP1.92
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81109277) is 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is CC(C)c1nc(Cn2c3c(ccc2=O)C(=O)CCC3)no1.
What is the InChIKey of 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is NCCHOYNZBWUXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(2)15-16-13(17-21-15)8-18-11-4-3-5-12(19)10(11)6-7-14(18)20/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 287.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81109277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).