5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide

C15H15N5O5 — CID 70783327

IUPAC5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)NCc1nc(C(N)=O)no1)CC(=O)N2
InChIInChI=1S/C15H15N5O5/c1-24-7-2-3-10-8(4-7)9(5-11(21)18-10)15(23)17-6-12-19-14(13(16)22)20-25-12/h2-4,9H,5-6H2,1H3,(H2,16,22)(H,17,23)(H,18,21)
InChIKeyQFUQVLRNKLUYHE-UHFFFAOYSA-N
MW345.32 g/mol
LogP-0.08
Rot. Bonds5

About 5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide

5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 70783327) has the molecular formula C15H15N5O5 and a molecular weight of 345.32 g/mol. Its IUPAC name is 5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID70783327
Molecular FormulaC15H15N5O5
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCOc1ccc2c(c1)C(C(=O)NCc1nc(C(N)=O)no1)CC(=O)N2
InChIInChI=1S/C15H15N5O5/c1-24-7-2-3-10-8(4-7)9(5-11(21)18-10)15(23)17-6-12-19-14(13(16)22)20-25-12/h2-4,9H,5-6H2,1H3,(H2,16,22)(H,17,23)(H,18,21)
InChIKeyQFUQVLRNKLUYHE-UHFFFAOYSA-N
XLogP-0.08
TPSA149.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 70783327) is 5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide is COc1ccc2c(c1)C(C(=O)NCc1nc(C(N)=O)no1)CC(=O)N2.
What is the InChIKey of 5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QFUQVLRNKLUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5/c1-24-7-2-3-10-8(4-7)9(5-11(21)18-10)15(23)17-6-12-19-14(13(16)22)20-25-12/h2-4,9H,5-6H2,1H3,(H2,16,22)(H,17,23)(H,18,21).
What are the key properties of 5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 345.32 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 70783327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).