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

C24H17Cl2N3O3 — CID 22577234

IUPAC10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one
SMILESCC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)OC1Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C24H17Cl2N3O3/c1-14(30)29-22(32-24(27-29)15-10-11-18(25)19(26)12-15)13-28-20-8-4-2-6-16(20)23(31)17-7-3-5-9-21(17)28/h2-12,22H,13H2,1H3
InChIKeyQHYGOQHFIKDRJH-UHFFFAOYSA-N
MW466.32 g/mol
LogP5.03
Rot. Bonds3

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

10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one (PubChem CID 22577234) has the molecular formula C24H17Cl2N3O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is 10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one.

Molecular Properties

Compound Name10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one
PubChem CID22577234
Molecular FormulaC24H17Cl2N3O3
Molecular Weight466.32 g/mol
Exact Mass465.06
IUPAC Name10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one
SMILESCC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)OC1Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C24H17Cl2N3O3/c1-14(30)29-22(32-24(27-29)15-10-11-18(25)19(26)12-15)13-28-20-8-4-2-6-16(20)23(31)17-7-3-5-9-21(17)28/h2-12,22H,13H2,1H3
InChIKeyQHYGOQHFIKDRJH-UHFFFAOYSA-N
XLogP5.03
TPSA63.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one 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 10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one?
The IUPAC name of 10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one (CID 22577234) is 10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one.
What is the SMILES notation for 10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one?
The canonical SMILES for 10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one is CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)OC1Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one?
The InChIKey is QHYGOQHFIKDRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O3/c1-14(30)29-22(32-24(27-29)15-10-11-18(25)19(26)12-15)13-28-20-8-4-2-6-16(20)23(31)17-7-3-5-9-21(17)28/h2-12,22H,13H2,1H3.
What are the key properties of 10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one?
10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one has a molecular weight of 466.32 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[3-acetyl-5-(3,4-dichlorophenyl)-2H-1,3,4-oxadiazol-2-yl]methyl]acridin-9-one is sourced from PubChem (CID 22577234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).