[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate

C22H19N3O3 — CID 8825387

IUPAC[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate
SMILESCc1ccccc1-c1noc(COC(=O)c2c(C)nc3ccccc3c2C)n1
InChIInChI=1S/C22H19N3O3/c1-13-8-4-5-9-16(13)21-24-19(28-25-21)12-27-22(26)20-14(2)17-10-6-7-11-18(17)23-15(20)3/h4-11H,12H2,1-3H3
InChIKeyLOFONOCAVMJMKH-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.57
Rot. Bonds4

About [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate

[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate (PubChem CID 8825387) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate
PubChem CID8825387
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate
SMILESCc1ccccc1-c1noc(COC(=O)c2c(C)nc3ccccc3c2C)n1
InChIInChI=1S/C22H19N3O3/c1-13-8-4-5-9-16(13)21-24-19(28-25-21)12-27-22(26)20-14(2)17-10-6-7-11-18(17)23-15(20)3/h4-11H,12H2,1-3H3
InChIKeyLOFONOCAVMJMKH-UHFFFAOYSA-N
XLogP4.57
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate (CID 8825387) is [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate is Cc1ccccc1-c1noc(COC(=O)c2c(C)nc3ccccc3c2C)n1.
What is the InChIKey of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is LOFONOCAVMJMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-13-8-4-5-9-16(13)21-24-19(28-25-21)12-27-22(26)20-14(2)17-10-6-7-11-18(17)23-15(20)3/h4-11H,12H2,1-3H3.
What are the key properties of [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate?
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 8825387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).