2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate

C24H21NO4 — CID 46688678

IUPAC2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate
SMILESCOc1ccc(CCOC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H21NO4/c1-28-18-12-10-17(11-13-18)14-15-29-23(26)16-25-21-8-4-2-6-19(21)24(27)20-7-3-5-9-22(20)25/h2-13H,14-16H2,1H3
InChIKeyDCLSTVVFHIHDQT-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.95
Rot. Bonds6

About 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate

2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate (PubChem CID 46688678) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate
PubChem CID46688678
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate
SMILESCOc1ccc(CCOC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H21NO4/c1-28-18-12-10-17(11-13-18)14-15-29-23(26)16-25-21-8-4-2-6-19(21)24(27)20-7-3-5-9-22(20)25/h2-13H,14-16H2,1H3
InChIKeyDCLSTVVFHIHDQT-UHFFFAOYSA-N
XLogP3.95
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587252
phenyl 2-(9-oxoacridin-10-yl)acetate
CID 3113744
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612576
cyanomethyl 2-(9-oxoacridin-10-yl)acetate
CID 16587178
(2-methylphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612647
[4-(trifluoromethyl)phenyl]methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612623
2-(4-methoxyphenyl)ethyl 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate
CID 8630562
(4-fluorophenyl) 2-(9-oxoacridin-10-yl)acetate
CID 16605438
2-(4-methoxyphenyl)ethyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 40698469
methyl 2-carbazol-9-ylacetate
CID 3745219
[2-(butylamino)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587341
(5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612383

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate (CID 46688678) is 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate is COc1ccc(CCOC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is DCLSTVVFHIHDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-28-18-12-10-17(11-13-18)14-15-29-23(26)16-25-21-8-4-2-6-19(21)24(27)20-7-3-5-9-22(20)25/h2-13H,14-16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate?
2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 387.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)ethyl 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 46688678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).