7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one

C16H13NO5 — CID 131753041

IUPAC7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
SMILESCOc1cc(O)c2c(=O)c3ccc4c(c3n(C)c2c1)OCO4
InChIInChI=1S/C16H13NO5/c1-17-10-5-8(20-2)6-11(18)13(10)15(19)9-3-4-12-16(14(9)17)22-7-21-12/h3-6,18H,7H2,1-2H3
InChIKeyHIDPWENUZOGSOF-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.13
Rot. Bonds1

About 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one

7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one (PubChem CID 131753041) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one.

Molecular Properties

Compound Name7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
PubChem CID131753041
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC Name7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
SMILESCOc1cc(O)c2c(=O)c3ccc4c(c3n(C)c2c1)OCO4
InChIInChI=1S/C16H13NO5/c1-17-10-5-8(20-2)6-11(18)13(10)15(19)9-3-4-12-16(14(9)17)22-7-21-12/h3-6,18H,7H2,1-2H3
InChIKeyHIDPWENUZOGSOF-UHFFFAOYSA-N
XLogP2.13
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one?
The IUPAC name of 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one (CID 131753041) is 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one.
What is the SMILES notation for 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one?
The canonical SMILES for 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one is COc1cc(O)c2c(=O)c3ccc4c(c3n(C)c2c1)OCO4.
What is the InChIKey of 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one?
The InChIKey is HIDPWENUZOGSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-17-10-5-8(20-2)6-11(18)13(10)15(19)9-3-4-12-16(14(9)17)22-7-21-12/h3-6,18H,7H2,1-2H3.
What are the key properties of 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one?
7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one has a molecular weight of 299.28 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one is sourced from PubChem (CID 131753041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).