6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one

C19H21NO7 — CID 15662869

IUPAC6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one
SMILESCOc1c(OC)c(OC)c2c(c1OC)c(=O)c1ccc(O)c(OC)c1n2C
InChIInChI=1S/C19H21NO7/c1-20-12-9(7-8-10(21)15(12)23-2)14(22)11-13(20)17(25-4)19(27-6)18(26-5)16(11)24-3/h7-8,21H,1-6H3
InChIKeyZMYQQLDJBDKYBW-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.44
Rot. Bonds5

About 6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one

6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one (PubChem CID 15662869) has the molecular formula C19H21NO7 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one
PubChem CID15662869
Molecular FormulaC19H21NO7
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Name6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one
SMILESCOc1c(OC)c(OC)c2c(c1OC)c(=O)c1ccc(O)c(OC)c1n2C
InChIInChI=1S/C19H21NO7/c1-20-12-9(7-8-10(21)15(12)23-2)14(22)11-13(20)17(25-4)19(27-6)18(26-5)16(11)24-3/h7-8,21H,1-6H3
InChIKeyZMYQQLDJBDKYBW-UHFFFAOYSA-N
XLogP2.44
TPSA88.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one?
The IUPAC name of 6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one (CID 15662869) is 6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one.
What is the SMILES notation for 6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one?
The canonical SMILES for 6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one is COc1c(OC)c(OC)c2c(c1OC)c(=O)c1ccc(O)c(OC)c1n2C.
What is the InChIKey of 6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one?
The InChIKey is ZMYQQLDJBDKYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO7/c1-20-12-9(7-8-10(21)15(12)23-2)14(22)11-13(20)17(25-4)19(27-6)18(26-5)16(11)24-3/h7-8,21H,1-6H3.
What are the key properties of 6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one?
6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one has a molecular weight of 375.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one is sourced from PubChem (CID 15662869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).