(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate

C22H19N3O3 — CID 2416482

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccccc3)o2)c1C
InChIInChI=1S/C22H19N3O3/c1-3-17-14(2)20(16-11-7-8-12-18(16)23-17)22(26)27-13-19-24-25-21(28-19)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyAIIDFWVDDLHSJP-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.51
Rot. Bonds5

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2416482) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2416482
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccccc3)o2)c1C
InChIInChI=1S/C22H19N3O3/c1-3-17-14(2)20(16-11-7-8-12-18(16)23-17)22(26)27-13-19-24-25-21(28-19)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3
InChIKeyAIIDFWVDDLHSJP-UHFFFAOYSA-N
XLogP4.51
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate (CID 2416482) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccccc3)o2)c1C.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is AIIDFWVDDLHSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-3-17-14(2)20(16-11-7-8-12-18(16)23-17)22(26)27-13-19-24-25-21(28-19)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2416482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).