2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole

C19H13Cl2N3O2 — CID 2363793

IUPAC2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccccc4)o3)c2n1
InChIInChI=1S/C19H13Cl2N3O2/c1-11-7-8-13-14(20)9-15(21)18(17(13)22-11)25-10-16-23-24-19(26-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyZJXCNPYSELVGPV-UHFFFAOYSA-N
MW386.24 g/mol
LogP5.48
Rot. Bonds4

About 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole

2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 2363793) has the molecular formula C19H13Cl2N3O2 and a molecular weight of 386.24 g/mol. Its IUPAC name is 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID2363793
Molecular FormulaC19H13Cl2N3O2
Molecular Weight386.24 g/mol
Exact Mass385.04
IUPAC Name2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccccc4)o3)c2n1
InChIInChI=1S/C19H13Cl2N3O2/c1-11-7-8-13-14(20)9-15(21)18(17(13)22-11)25-10-16-23-24-19(26-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyZJXCNPYSELVGPV-UHFFFAOYSA-N
XLogP5.48
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.24
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole 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 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole (CID 2363793) is 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccccc4)o3)c2n1.
What is the InChIKey of 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZJXCNPYSELVGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O2/c1-11-7-8-13-14(20)9-15(21)18(17(13)22-11)25-10-16-23-24-19(26-16)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 386.24 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 2363793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).