(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate

C22H15Cl2NO3 — CID 16587182

IUPAC(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H15Cl2NO3/c23-15-10-9-14(18(24)11-15)13-28-21(26)12-25-19-7-3-1-5-16(19)22(27)17-6-2-4-8-20(17)25/h1-11H,12-13H2
InChIKeyPNGFZYSUDNRAQZ-UHFFFAOYSA-N
MW412.27 g/mol
LogP5.20
Rot. Bonds4

About (2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate

(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16587182) has the molecular formula C22H15Cl2NO3 and a molecular weight of 412.27 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
PubChem CID16587182
Molecular FormulaC22H15Cl2NO3
Molecular Weight412.27 g/mol
Exact Mass411.04
IUPAC Name(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H15Cl2NO3/c23-15-10-9-14(18(24)11-15)13-28-21(26)12-25-19-7-3-1-5-16(19)22(27)17-6-2-4-8-20(17)25/h1-11H,12-13H2
InChIKeyPNGFZYSUDNRAQZ-UHFFFAOYSA-N
XLogP5.20
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.27
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of (2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate (CID 16587182) is (2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate is O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is PNGFZYSUDNRAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO3/c23-15-10-9-14(18(24)11-15)13-28-21(26)12-25-19-7-3-1-5-16(19)22(27)17-6-2-4-8-20(17)25/h1-11H,12-13H2.
What are the key properties of (2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate?
(2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 412.27 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16587182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).