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

C15H15N3O3 — CID 81109169

IUPAC1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1nc(C2CC2)no1
InChIInChI=1S/C15H15N3O3/c19-12-3-1-2-11-10(12)6-7-14(20)18(11)8-13-16-15(17-21-13)9-4-5-9/h6-7,9H,1-5,8H2
InChIKeyVOYHVHCVVCYEFG-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.68
Rot. Bonds3

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

1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81109169) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81109169
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESO=C1CCCc2c1ccc(=O)n2Cc1nc(C2CC2)no1
InChIInChI=1S/C15H15N3O3/c19-12-3-1-2-11-10(12)6-7-14(20)18(11)8-13-16-15(17-21-13)9-4-5-9/h6-7,9H,1-5,8H2
InChIKeyVOYHVHCVVCYEFG-UHFFFAOYSA-N
XLogP1.68
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81109169) is 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is O=C1CCCc2c1ccc(=O)n2Cc1nc(C2CC2)no1.
What is the InChIKey of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is VOYHVHCVVCYEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-12-3-1-2-11-10(12)6-7-14(20)18(11)8-13-16-15(17-21-13)9-4-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 285.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81109169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).