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

C19H12Cl3N3O2 — CID 2476836

IUPAC2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole
SMILESCc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccc(Cl)cc4)o3)c2n1
InChIInChI=1S/C19H12Cl3N3O2/c1-10-2-7-13-14(21)8-15(22)18(17(13)23-10)26-9-16-24-25-19(27-16)11-3-5-12(20)6-4-11/h2-8H,9H2,1H3
InChIKeyLPPBNXJXJYXGBQ-UHFFFAOYSA-N
MW420.68 g/mol
LogP6.13
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole (PubChem CID 2476836) has the molecular formula C19H12Cl3N3O2 and a molecular weight of 420.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole
PubChem CID2476836
Molecular FormulaC19H12Cl3N3O2
Molecular Weight420.68 g/mol
Exact Mass419.00
IUPAC Name2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole
SMILESCc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccc(Cl)cc4)o3)c2n1
InChIInChI=1S/C19H12Cl3N3O2/c1-10-2-7-13-14(21)8-15(22)18(17(13)23-10)26-9-16-24-25-19(27-16)11-3-5-12(20)6-4-11/h2-8H,9H2,1H3
InChIKeyLPPBNXJXJYXGBQ-UHFFFAOYSA-N
XLogP6.13
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.68
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole (CID 2476836) is 2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole is Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccc(Cl)cc4)o3)c2n1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole?
The InChIKey is LPPBNXJXJYXGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3O2/c1-10-2-7-13-14(21)8-15(22)18(17(13)23-10)26-9-16-24-25-19(27-16)11-3-5-12(20)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole has a molecular weight of 420.68 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2476836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).