1,2,3,5,6-pentamethoxy-10H-acridin-9-one

C18H19NO6 — CID 44584644

IUPAC1,2,3,5,6-pentamethoxy-10H-acridin-9-one
SMILESCOc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(OC)c1OC
InChIInChI=1S/C18H19NO6/c1-21-11-7-6-9-14(16(11)23-3)19-10-8-12(22-2)17(24-4)18(25-5)13(10)15(9)20/h6-8H,1-5H3,(H,19,20)
InChIKeyCCYFNSHESGHUKB-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.72
Rot. Bonds5

About 1,2,3,5,6-pentamethoxy-10H-acridin-9-one

1,2,3,5,6-pentamethoxy-10H-acridin-9-one (PubChem CID 44584644) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 1,2,3,5,6-pentamethoxy-10H-acridin-9-one.

Molecular Properties

Compound Name1,2,3,5,6-pentamethoxy-10H-acridin-9-one
PubChem CID44584644
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name1,2,3,5,6-pentamethoxy-10H-acridin-9-one
SMILESCOc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(OC)c1OC
InChIInChI=1S/C18H19NO6/c1-21-11-7-6-9-14(16(11)23-3)19-10-8-12(22-2)17(24-4)18(25-5)13(10)15(9)20/h6-8H,1-5H3,(H,19,20)
InChIKeyCCYFNSHESGHUKB-UHFFFAOYSA-N
XLogP2.72
TPSA79.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.72
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 1,2,3,5,6-pentamethoxy-10H-acridin-9-one?
The IUPAC name of 1,2,3,5,6-pentamethoxy-10H-acridin-9-one (CID 44584644) is 1,2,3,5,6-pentamethoxy-10H-acridin-9-one.
What is the SMILES notation for 1,2,3,5,6-pentamethoxy-10H-acridin-9-one?
The canonical SMILES for 1,2,3,5,6-pentamethoxy-10H-acridin-9-one is COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(OC)c1OC.
What is the InChIKey of 1,2,3,5,6-pentamethoxy-10H-acridin-9-one?
The InChIKey is CCYFNSHESGHUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-21-11-7-6-9-14(16(11)23-3)19-10-8-12(22-2)17(24-4)18(25-5)13(10)15(9)20/h6-8H,1-5H3,(H,19,20).
What are the key properties of 1,2,3,5,6-pentamethoxy-10H-acridin-9-one?
1,2,3,5,6-pentamethoxy-10H-acridin-9-one has a molecular weight of 345.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6-pentamethoxy-10H-acridin-9-one is sourced from PubChem (CID 44584644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).