ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate

C15H13N3O3 — CID 115586995

IUPACethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2cc(C)nc3ccccc23)o1
InChIInChI=1S/C15H13N3O3/c1-3-20-15(19)14-18-17-13(21-14)11-8-9(2)16-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3
InChIKeyDEVDXILKBNQDOE-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.77
Rot. Bonds3

About ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate

ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 115586995) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID115586995
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Nameethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(-c2cc(C)nc3ccccc23)o1
InChIInChI=1S/C15H13N3O3/c1-3-20-15(19)14-18-17-13(21-14)11-8-9(2)16-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3
InChIKeyDEVDXILKBNQDOE-UHFFFAOYSA-N
XLogP2.77
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-quinolin-4-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960787
ethyl 5-(2-nitrophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619292
N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62139228
ethyl 5-(2-methoxy-5-methylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619183
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylquinoline-4-carboxylate
CID 2484445
ethyl 5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619253
ethyl 5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685436
ethyl 5-(2-bromo-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619275
ethyl 5-(4-aminophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 70211595
ethyl 5-(4-ethylphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685410
ethyl 5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619393
ethyl 5-quinoxalin-6-yl-1,3,4-oxadiazole-2-carboxylate
CID 115960764

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate (CID 115586995) is ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(-c2cc(C)nc3ccccc23)o1.
What is the InChIKey of ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is DEVDXILKBNQDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-3-20-15(19)14-18-17-13(21-14)11-8-9(2)16-12-7-5-4-6-10(11)12/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 115586995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).