methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate

C23H20N2O6 — CID 143363540

IUPACmethyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate
SMILESCOC(=O)c1cc(C)c(ONOc2c3cc(O)ccc3nc3ccc(O)cc23)c(C)c1
InChIInChI=1S/C23H20N2O6/c1-12-8-14(23(28)29-3)9-13(2)21(12)30-25-31-22-17-10-15(26)4-6-19(17)24-20-7-5-16(27)11-18(20)22/h4-11,25-27H,1-3H3
InChIKeyRHOSTJUIMZWNAD-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.08
Rot. Bonds5

About methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate

methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate (PubChem CID 143363540) has the molecular formula C23H20N2O6 and a molecular weight of 420.42 g/mol. Its IUPAC name is methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate
PubChem CID143363540
Molecular FormulaC23H20N2O6
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Namemethyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate
SMILESCOC(=O)c1cc(C)c(ONOc2c3cc(O)ccc3nc3ccc(O)cc23)c(C)c1
InChIInChI=1S/C23H20N2O6/c1-12-8-14(23(28)29-3)9-13(2)21(12)30-25-31-22-17-10-15(26)4-6-19(17)24-20-7-5-16(27)11-18(20)22/h4-11,25-27H,1-3H3
InChIKeyRHOSTJUIMZWNAD-UHFFFAOYSA-N
XLogP4.08
TPSA110.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate 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

(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate
CID 88878421
methyl 3-hydroxyacridine-9-carboxylate
CID 135618678
methyl 7-methylphenanthridine-9-carboxylate
CID 46873131
methyl phenazine-2-carboxylate
CID 617185
methyl acridine-9-carboxylate
CID 21211
methyl 6-hydroxyquinazoline-4-carboxylate
CID 105455928
methyl 5-methyl-1-(methylamino)isoquinoline-7-carboxylate
CID 170744662
methyl 4-(6-hydroxyquinolin-2-yl)benzoate
CID 66980069
methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
CID 99965462
methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonyl-3-methylphenyl)-5-methylbenzoate
CID 44552214
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate?
The IUPAC name of methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate (CID 143363540) is methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate.
What is the SMILES notation for methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate?
The canonical SMILES for methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate is COC(=O)c1cc(C)c(ONOc2c3cc(O)ccc3nc3ccc(O)cc23)c(C)c1.
What is the InChIKey of methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate?
The InChIKey is RHOSTJUIMZWNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6/c1-12-8-14(23(28)29-3)9-13(2)21(12)30-25-31-22-17-10-15(26)4-6-19(17)24-20-7-5-16(27)11-18(20)22/h4-11,25-27H,1-3H3.
What are the key properties of methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate?
methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate has a molecular weight of 420.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate is sourced from PubChem (CID 143363540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).