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

C23H16ClN3O2 — CID 127033614

IUPAC10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one
SMILESCc1ccc2c(c1)c(=O)c1ccccc1n2Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H16ClN3O2/c1-14-6-11-20-18(12-14)22(28)17-4-2-3-5-19(17)27(20)13-21-25-23(26-29-21)15-7-9-16(24)10-8-15/h2-12H,13H2,1H3
InChIKeyQYJLRBLUYRCEFF-UHFFFAOYSA-N
MW401.85 g/mol
LogP5.21
Rot. Bonds3

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

10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one (PubChem CID 127033614) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one.

Molecular Properties

Compound Name10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one
PubChem CID127033614
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC Name10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one
SMILESCc1ccc2c(c1)c(=O)c1ccccc1n2Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C23H16ClN3O2/c1-14-6-11-20-18(12-14)22(28)17-4-2-3-5-19(17)27(20)13-21-25-23(26-29-21)15-7-9-16(24)10-8-15/h2-12H,13H2,1H3
InChIKeyQYJLRBLUYRCEFF-UHFFFAOYSA-N
XLogP5.21
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 55.21
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-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-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-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one?
The IUPAC name of 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one (CID 127033614) is 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one.
What is the SMILES notation for 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one?
The canonical SMILES for 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one is Cc1ccc2c(c1)c(=O)c1ccccc1n2Cc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one?
The InChIKey is QYJLRBLUYRCEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2/c1-14-6-11-20-18(12-14)22(28)17-4-2-3-5-19(17)27(20)13-21-25-23(26-29-21)15-7-9-16(24)10-8-15/h2-12H,13H2,1H3.
What are the key properties of 10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one?
10-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylacridin-9-one has a molecular weight of 401.85 g/mol, XLogP of 5.21, 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]-2-methylacridin-9-one is sourced from PubChem (CID 127033614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).