4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one

C17H9Cl2N3O2 — CID 175667631

IUPAC4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cc3ccccc3nc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H9Cl2N3O2/c18-11-5-7-12(8-6-11)22-16(21-24-17(22)23)13-9-10-3-1-2-4-14(10)20-15(13)19/h1-9H
InChIKeyQXPCEAJGHYCROU-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.35
Rot. Bonds2

About 4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one

4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one (PubChem CID 175667631) has the molecular formula C17H9Cl2N3O2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one
PubChem CID175667631
Molecular FormulaC17H9Cl2N3O2
Molecular Weight358.18 g/mol
Exact Mass357.01
IUPAC Name4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cc3ccccc3nc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H9Cl2N3O2/c18-11-5-7-12(8-6-11)22-16(21-24-17(22)23)13-9-10-3-1-2-4-14(10)20-15(13)19/h1-9H
InChIKeyQXPCEAJGHYCROU-UHFFFAOYSA-N
XLogP4.35
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one (CID 175667631) is 4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one is O=c1onc(-c2cc3ccccc3nc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one?
The InChIKey is QXPCEAJGHYCROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O2/c18-11-5-7-12(8-6-11)22-16(21-24-17(22)23)13-9-10-3-1-2-4-14(10)20-15(13)19/h1-9H.
What are the key properties of 4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one?
4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one has a molecular weight of 358.18 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 175667631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).