1,3-dihydroxy-5-methoxy-10H-acridin-9-one

C14H11NO4 — CID 5496203

IUPAC1,3-dihydroxy-5-methoxy-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3c(O)cc(O)cc3[nH]c12
InChIInChI=1S/C14H11NO4/c1-19-11-4-2-3-8-13(11)15-9-5-7(16)6-10(17)12(9)14(8)18/h2-6,16-17H,1H3,(H,15,18)
InChIKeyAPIMHYYXWUCNTO-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.10
Rot. Bonds1

About 1,3-dihydroxy-5-methoxy-10H-acridin-9-one

1,3-dihydroxy-5-methoxy-10H-acridin-9-one (PubChem CID 5496203) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1,3-dihydroxy-5-methoxy-10H-acridin-9-one.

Molecular Properties

Compound Name1,3-dihydroxy-5-methoxy-10H-acridin-9-one
PubChem CID5496203
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name1,3-dihydroxy-5-methoxy-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3c(O)cc(O)cc3[nH]c12
InChIInChI=1S/C14H11NO4/c1-19-11-4-2-3-8-13(11)15-9-5-7(16)6-10(17)12(9)14(8)18/h2-6,16-17H,1H3,(H,15,18)
InChIKeyAPIMHYYXWUCNTO-UHFFFAOYSA-N
XLogP2.10
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1,3-dihydroxy-5-methoxy-10H-acridin-9-one?
The IUPAC name of 1,3-dihydroxy-5-methoxy-10H-acridin-9-one (CID 5496203) is 1,3-dihydroxy-5-methoxy-10H-acridin-9-one.
What is the SMILES notation for 1,3-dihydroxy-5-methoxy-10H-acridin-9-one?
The canonical SMILES for 1,3-dihydroxy-5-methoxy-10H-acridin-9-one is COc1cccc2c(=O)c3c(O)cc(O)cc3[nH]c12.
What is the InChIKey of 1,3-dihydroxy-5-methoxy-10H-acridin-9-one?
The InChIKey is APIMHYYXWUCNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-19-11-4-2-3-8-13(11)15-9-5-7(16)6-10(17)12(9)14(8)18/h2-6,16-17H,1H3,(H,15,18).
What are the key properties of 1,3-dihydroxy-5-methoxy-10H-acridin-9-one?
1,3-dihydroxy-5-methoxy-10H-acridin-9-one has a molecular weight of 257.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-5-methoxy-10H-acridin-9-one is sourced from PubChem (CID 5496203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).