1,3-dihydroxy-8-methyl-10H-acridin-9-one

C14H11NO3 — CID 5465790

IUPAC1,3-dihydroxy-8-methyl-10H-acridin-9-one
SMILESCc1cccc2[nH]c3cc(O)cc(O)c3c(=O)c12
InChIInChI=1S/C14H11NO3/c1-7-3-2-4-9-12(7)14(18)13-10(15-9)5-8(16)6-11(13)17/h2-6,16-17H,1H3,(H,15,18)
InChIKeyJCBDAFIHZKTUHH-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.40
Rot. Bonds

About 1,3-dihydroxy-8-methyl-10H-acridin-9-one

1,3-dihydroxy-8-methyl-10H-acridin-9-one (PubChem CID 5465790) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,3-dihydroxy-8-methyl-10H-acridin-9-one.

Molecular Properties

Compound Name1,3-dihydroxy-8-methyl-10H-acridin-9-one
PubChem CID5465790
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name1,3-dihydroxy-8-methyl-10H-acridin-9-one
SMILESCc1cccc2[nH]c3cc(O)cc(O)c3c(=O)c12
InChIInChI=1S/C14H11NO3/c1-7-3-2-4-9-12(7)14(18)13-10(15-9)5-8(16)6-11(13)17/h2-6,16-17H,1H3,(H,15,18)
InChIKeyJCBDAFIHZKTUHH-UHFFFAOYSA-N
XLogP2.40
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-8-methyl-10H-acridin-9-one?
The IUPAC name of 1,3-dihydroxy-8-methyl-10H-acridin-9-one (CID 5465790) is 1,3-dihydroxy-8-methyl-10H-acridin-9-one.
What is the SMILES notation for 1,3-dihydroxy-8-methyl-10H-acridin-9-one?
The canonical SMILES for 1,3-dihydroxy-8-methyl-10H-acridin-9-one is Cc1cccc2[nH]c3cc(O)cc(O)c3c(=O)c12.
What is the InChIKey of 1,3-dihydroxy-8-methyl-10H-acridin-9-one?
The InChIKey is JCBDAFIHZKTUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-7-3-2-4-9-12(7)14(18)13-10(15-9)5-8(16)6-11(13)17/h2-6,16-17H,1H3,(H,15,18).
What are the key properties of 1,3-dihydroxy-8-methyl-10H-acridin-9-one?
1,3-dihydroxy-8-methyl-10H-acridin-9-one has a molecular weight of 241.25 g/mol, XLogP of 2.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-8-methyl-10H-acridin-9-one is sourced from PubChem (CID 5465790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).