2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide

C22H18N2O3 — CID 101106139

IUPAC2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide
SMILESCn1c2ccccc2c(=O)c2cc(OCC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C22H18N2O3/c1-24-19-10-6-5-9-17(19)22(26)18-13-16(11-12-20(18)24)27-14-21(25)23-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,25)
InChIKeyHWOLHXLTCMCVSA-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.71
Rot. Bonds4

About 2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide

2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide (PubChem CID 101106139) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide
PubChem CID101106139
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide
SMILESCn1c2ccccc2c(=O)c2cc(OCC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C22H18N2O3/c1-24-19-10-6-5-9-17(19)22(26)18-13-16(11-12-20(18)24)27-14-21(25)23-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,25)
InChIKeyHWOLHXLTCMCVSA-UHFFFAOYSA-N
XLogP3.71
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
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-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide?
The IUPAC name of 2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide (CID 101106139) is 2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide.
What is the SMILES notation for 2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide?
The canonical SMILES for 2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide is Cn1c2ccccc2c(=O)c2cc(OCC(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide?
The InChIKey is HWOLHXLTCMCVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-24-19-10-6-5-9-17(19)22(26)18-13-16(11-12-20(18)24)27-14-21(25)23-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of 2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide?
2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide has a molecular weight of 358.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methyl-9-oxoacridin-2-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 101106139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).