10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one

C22H14ClN3O2 — CID 127029917

IUPAC10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one
SMILESO=c1c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c2ccccc12
InChIInChI=1S/C22H14ClN3O2/c23-15-11-9-14(10-12-15)22-24-20(28-25-22)13-26-18-7-3-1-5-16(18)21(27)17-6-2-4-8-19(17)26/h1-12H,13H2
InChIKeyPYDOBKXHRIJZQI-UHFFFAOYSA-N
MW387.83 g/mol
LogP4.91
Rot. Bonds3

About 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one

10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one (PubChem CID 127029917) has the molecular formula C22H14ClN3O2 and a molecular weight of 387.83 g/mol. Its IUPAC name is 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one.

Molecular Properties

Compound Name10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one
PubChem CID127029917
Molecular FormulaC22H14ClN3O2
Molecular Weight387.83 g/mol
Exact Mass387.08
IUPAC Name10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one
SMILESO=c1c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c2ccccc12
InChIInChI=1S/C22H14ClN3O2/c23-15-11-9-14(10-12-15)22-24-20(28-25-22)13-26-18-7-3-1-5-16(18)21(27)17-6-2-4-8-19(17)26/h1-12H,13H2
InChIKeyPYDOBKXHRIJZQI-UHFFFAOYSA-N
XLogP4.91
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one?
The IUPAC name of 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one (CID 127029917) is 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one.
What is the SMILES notation for 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one?
The canonical SMILES for 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one is O=c1c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c2ccccc12.
What is the InChIKey of 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one?
The InChIKey is PYDOBKXHRIJZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O2/c23-15-11-9-14(10-12-15)22-24-20(28-25-22)13-26-18-7-3-1-5-16(18)21(27)17-6-2-4-8-19(17)26/h1-12H,13H2.
What are the key properties of 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one?
10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one has a molecular weight of 387.83 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acridin-9-one is sourced from PubChem (CID 127029917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).