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

C24H23N3O3 — CID 2472726

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccccc3)o2)c1CC
InChIInChI=1S/C24H23N3O3/c1-3-10-19-17(4-2)22(18-13-8-9-14-20(18)25-19)24(28)29-15-21-26-27-23(30-21)16-11-6-5-7-12-16/h5-9,11-14H,3-4,10,15H2,1-2H3
InChIKeyGDOBGEGIVWAPRQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.16
Rot. Bonds7

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

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate (PubChem CID 2472726) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate
PubChem CID2472726
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate
SMILESCCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccccc3)o2)c1CC
InChIInChI=1S/C24H23N3O3/c1-3-10-19-17(4-2)22(18-13-8-9-14-20(18)25-19)24(28)29-15-21-26-27-23(30-21)16-11-6-5-7-12-16/h5-9,11-14H,3-4,10,15H2,1-2H3
InChIKeyGDOBGEGIVWAPRQ-UHFFFAOYSA-N
XLogP5.16
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate (CID 2472726) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate is CCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccccc3)o2)c1CC.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate?
The InChIKey is GDOBGEGIVWAPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-3-10-19-17(4-2)22(18-13-8-9-14-20(18)25-19)24(28)29-15-21-26-27-23(30-21)16-11-6-5-7-12-16/h5-9,11-14H,3-4,10,15H2,1-2H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-ethyl-2-propylquinoline-4-carboxylate has a molecular weight of 401.47 g/mol, XLogP of 5.16, 7 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 3-ethyl-2-propylquinoline-4-carboxylate is sourced from PubChem (CID 2472726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).