1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one

C14H11NO5 — CID 14734323

IUPAC1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one
SMILESCOc1ccc2[nH]c3cc(O)cc(O)c3c(=O)c2c1O
InChIInChI=1S/C14H11NO5/c1-20-10-3-2-7-12(13(10)18)14(19)11-8(15-7)4-6(16)5-9(11)17/h2-5,16-18H,1H3,(H,15,19)
InChIKeyZMXYNMSNMSHWTR-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.81
Rot. Bonds1

About 1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one

1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one (PubChem CID 14734323) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one.

Molecular Properties

Compound Name1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one
PubChem CID14734323
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one
SMILESCOc1ccc2[nH]c3cc(O)cc(O)c3c(=O)c2c1O
InChIInChI=1S/C14H11NO5/c1-20-10-3-2-7-12(13(10)18)14(19)11-8(15-7)4-6(16)5-9(11)17/h2-5,16-18H,1H3,(H,15,19)
InChIKeyZMXYNMSNMSHWTR-UHFFFAOYSA-N
XLogP1.81
TPSA102.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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
Citracridone I
CID 5487591
Arborinine
CID 5281832
Glyfoline
CID 5480208
1-Hydroxy-3-methoxy-10-methylacridone
CID 5377412
Citpressine I
CID 5494827
citpressine II
CID 5494828
Melicopicine
CID 101253
1,3-Dihydroxy-10H-acridin-9-one
CID 5467589
1,3,6-Trihydroxy-5-methoxy-10-methyl-2-(3-methyl-2-buten-1-yl)-9(10H)-acridinone
CID 5281838

Frequently Asked Questions

What is the IUPAC name of 1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one?
The IUPAC name of 1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one (CID 14734323) is 1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one.
What is the SMILES notation for 1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one?
The canonical SMILES for 1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one is COc1ccc2[nH]c3cc(O)cc(O)c3c(=O)c2c1O.
What is the InChIKey of 1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one?
The InChIKey is ZMXYNMSNMSHWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-20-10-3-2-7-12(13(10)18)14(19)11-8(15-7)4-6(16)5-9(11)17/h2-5,16-18H,1H3,(H,15,19).
What are the key properties of 1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one?
1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one has a molecular weight of 273.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,8-trihydroxy-2-methoxy-10H-acridin-9-one is sourced from PubChem (CID 14734323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).