5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one

C18H17NO5 — CID 628514

IUPAC5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
SMILESCCOc1c(OC)c2c(c3c1c(=O)c1ccccc1n3C)OCO2
InChIInChI=1S/C18H17NO5/c1-4-22-15-12-13(16-18(17(15)21-3)24-9-23-16)19(2)11-8-6-5-7-10(11)14(12)20/h5-8H,4,9H2,1-3H3
InChIKeyYRNADDIAILOGCE-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.83
Rot. Bonds3

About 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one

5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one (PubChem CID 628514) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one.

Molecular Properties

Compound Name5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
PubChem CID628514
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
SMILESCCOc1c(OC)c2c(c3c1c(=O)c1ccccc1n3C)OCO2
InChIInChI=1S/C18H17NO5/c1-4-22-15-12-13(16-18(17(15)21-3)24-9-23-16)19(2)11-8-6-5-7-10(11)14(12)20/h5-8H,4,9H2,1-3H3
InChIKeyYRNADDIAILOGCE-UHFFFAOYSA-N
XLogP2.83
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-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 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one?
The IUPAC name of 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one (CID 628514) is 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one.
What is the SMILES notation for 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one?
The canonical SMILES for 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one is CCOc1c(OC)c2c(c3c1c(=O)c1ccccc1n3C)OCO2.
What is the InChIKey of 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one?
The InChIKey is YRNADDIAILOGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-4-22-15-12-13(16-18(17(15)21-3)24-9-23-16)19(2)11-8-6-5-7-10(11)14(12)20/h5-8H,4,9H2,1-3H3.
What are the key properties of 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one?
5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one has a molecular weight of 327.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one is sourced from PubChem (CID 628514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).