[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate

C23H21N3O4 — CID 8536657

IUPAC[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C23H21N3O4/c1-4-18-21(14(2)17-7-5-6-8-19(17)24-18)23(27)29-13-20-25-22(26-30-20)15-9-11-16(28-3)12-10-15/h5-12H,4,13H2,1-3H3
InChIKeyFOQQFQJNKJESOD-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.52
Rot. Bonds6

About [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate

[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate (PubChem CID 8536657) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate
PubChem CID8536657
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate
SMILESCCc1nc2ccccc2c(C)c1C(=O)OCc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C23H21N3O4/c1-4-18-21(14(2)17-7-5-6-8-19(17)24-18)23(27)29-13-20-25-22(26-30-20)15-9-11-16(28-3)12-10-15/h5-12H,4,13H2,1-3H3
InChIKeyFOQQFQJNKJESOD-UHFFFAOYSA-N
XLogP4.52
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate with MolForge

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Related Compounds

[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4,5-trimethylfuran-3-carboxylate
CID 34793994
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylbenzoate
CID 40745448
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 9455836
(2-methoxy-5-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501206
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,4-dimethylquinoline-3-carboxylate
CID 8825387
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl pyridine-2-carboxylate
CID 40734371
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-ethyl-4-methylthiophene-2-carboxylate
CID 46811257
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylbenzoate
CID 29350373
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(dimethylamino)benzoate
CID 40738912
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,6-dimethoxybenzoate
CID 8513481
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate?
The IUPAC name of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate (CID 8536657) is [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate is CCc1nc2ccccc2c(C)c1C(=O)OCc1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate?
The InChIKey is FOQQFQJNKJESOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-4-18-21(14(2)17-7-5-6-8-19(17)24-18)23(27)29-13-20-25-22(26-30-20)15-9-11-16(28-3)12-10-15/h5-12H,4,13H2,1-3H3.
What are the key properties of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate?
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate has a molecular weight of 403.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethyl-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 8536657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).