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

C15H17N3O3 — CID 81109275

IUPAC1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCCCc1noc(Cn2c3c(ccc2=O)C(=O)CCC3)n1
InChIInChI=1S/C15H17N3O3/c1-2-4-13-16-14(21-17-13)9-18-11-5-3-6-12(19)10(11)7-8-15(18)20/h7-8H,2-6,9H2,1H3
InChIKeyTWZZOJBHNGPGAE-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.75
Rot. Bonds4

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

1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81109275) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81109275
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCCCc1noc(Cn2c3c(ccc2=O)C(=O)CCC3)n1
InChIInChI=1S/C15H17N3O3/c1-2-4-13-16-14(21-17-13)9-18-11-5-3-6-12(19)10(11)7-8-15(18)20/h7-8H,2-6,9H2,1H3
InChIKeyTWZZOJBHNGPGAE-UHFFFAOYSA-N
XLogP1.75
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81109275) is 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is CCCc1noc(Cn2c3c(ccc2=O)C(=O)CCC3)n1.
What is the InChIKey of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is TWZZOJBHNGPGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-4-13-16-14(21-17-13)9-18-11-5-3-6-12(19)10(11)7-8-15(18)20/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 287.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81109275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).