1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one

C18H19NO7 — CID 5480208

IUPAC1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one
SMILESCOc1c(OC)c(OC)c2c(c1O)c(=O)c1ccc(O)c(OC)c1n2C
InChIInChI=1S/C18H19NO7/c1-19-11-8(6-7-9(20)15(11)23-2)13(21)10-12(19)16(24-3)18(26-5)17(25-4)14(10)22/h6-7,20,22H,1-5H3
InChIKeyIHSANOPPEBGTGL-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.14
Rot. Bonds4

About 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one

1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one (PubChem CID 5480208) has the molecular formula C18H19NO7 and a molecular weight of 361.35 g/mol. Its IUPAC name is 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one
PubChem CID5480208
Molecular FormulaC18H19NO7
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one
SMILESCOc1c(OC)c(OC)c2c(c1O)c(=O)c1ccc(O)c(OC)c1n2C
InChIInChI=1S/C18H19NO7/c1-19-11-8(6-7-9(20)15(11)23-2)13(21)10-12(19)16(24-3)18(26-5)17(25-4)14(10)22/h6-7,20,22H,1-5H3
InChIKeyIHSANOPPEBGTGL-UHFFFAOYSA-N
XLogP2.14
TPSA99.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,5-Dihydroxy-3,4-dimethoxy-10-methyl-9(10H)-acridinone
CID 5487772
Citrusinine II
CID 10016895
Citbrasine
CID 19093029
4,11-dimethoxy-5-methyl-1,3-dioxolo(4,5-b)acridin-10(5H)-one
CID 68060
Citracridone I
CID 5487591
Arborinine
CID 5281832
5-Methoxynoracronycine
CID 14463134
1-Hydroxy-3-methoxy-10-methylacridone
CID 5377412
Citpressine I
CID 5494827
citpressine II
CID 5494828
Melicopine
CID 68433
Melicopicine
CID 101253

Frequently Asked Questions

What is the IUPAC name of 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one?
The IUPAC name of 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one (CID 5480208) is 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one.
What is the SMILES notation for 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one?
The canonical SMILES for 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one is COc1c(OC)c(OC)c2c(c1O)c(=O)c1ccc(O)c(OC)c1n2C.
What is the InChIKey of 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one?
The InChIKey is IHSANOPPEBGTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO7/c1-19-11-8(6-7-9(20)15(11)23-2)13(21)10-12(19)16(24-3)18(26-5)17(25-4)14(10)22/h6-7,20,22H,1-5H3.
What are the key properties of 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one?
1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one has a molecular weight of 361.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one is sourced from PubChem (CID 5480208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).