3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide

C17H17N5O3 — CID 46997983

IUPAC3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2noc(C(N)=O)n2)c2ccc(C)c(C)c2n1
InChIInChI=1S/C17H17N5O3/c1-8-4-5-11-12(6-9(2)20-14(11)10(8)3)16(24)19-7-13-21-17(15(18)23)25-22-13/h4-6H,7H2,1-3H3,(H2,18,23)(H,19,24)
InChIKeyDLVMFNUZIXDRJB-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.57
Rot. Bonds4

About 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 46997983) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID46997983
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2noc(C(N)=O)n2)c2ccc(C)c(C)c2n1
InChIInChI=1S/C17H17N5O3/c1-8-4-5-11-12(6-9(2)20-14(11)10(8)3)16(24)19-7-13-21-17(15(18)23)25-22-13/h4-6H,7H2,1-3H3,(H2,18,23)(H,19,24)
InChIKeyDLVMFNUZIXDRJB-UHFFFAOYSA-N
XLogP1.57
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70762663
2,7,8-trimethylquinoline-4-carboxamide
CID 82574045
2,7,8-trimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]quinoline-4-carboxamide
CID 70788382
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70747319
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide
CID 70712385
2-tert-butyl-7,8-dimethylquinoline-4-carbohydrazide
CID 82448500
4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409248
3-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 56883087
3-[(4H-thieno[3,2-b]pyrrole-5-carbonylamino)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91781266
3-[[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 97110651
3-[(2,3,3-trimethylbutanoylamino)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 70969869
3-[[3-(2-methylbenzimidazol-1-yl)propanoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91765392

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 46997983) is 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1cc(C(=O)NCc2noc(C(N)=O)n2)c2ccc(C)c(C)c2n1.
What is the InChIKey of 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DLVMFNUZIXDRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-8-4-5-11-12(6-9(2)20-14(11)10(8)3)16(24)19-7-13-21-17(15(18)23)25-22-13/h4-6H,7H2,1-3H3,(H2,18,23)(H,19,24).
What are the key properties of 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,7,8-trimethylquinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 46997983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).