methyl 3-hydroxyacridine-9-carboxylate

C15H11NO3 — CID 135618678

IUPACmethyl 3-hydroxyacridine-9-carboxylate
SMILESCOC(=O)c1c2ccccc2nc2cc(O)ccc12
InChIInChI=1S/C15H11NO3/c1-19-15(18)14-10-4-2-3-5-12(10)16-13-8-9(17)6-7-11(13)14/h2-8,17H,1H3
InChIKeyJIYVIXCXTNKVID-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.88
Rot. Bonds1

About methyl 3-hydroxyacridine-9-carboxylate

methyl 3-hydroxyacridine-9-carboxylate (PubChem CID 135618678) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 3-hydroxyacridine-9-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxyacridine-9-carboxylate
PubChem CID135618678
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Namemethyl 3-hydroxyacridine-9-carboxylate
SMILESCOC(=O)c1c2ccccc2nc2cc(O)ccc12
InChIInChI=1S/C15H11NO3/c1-19-15(18)14-10-4-2-3-5-12(10)16-13-8-9(17)6-7-11(13)14/h2-8,17H,1H3
InChIKeyJIYVIXCXTNKVID-UHFFFAOYSA-N
XLogP2.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
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 methyl 3-hydroxyacridine-9-carboxylate?
The IUPAC name of methyl 3-hydroxyacridine-9-carboxylate (CID 135618678) is methyl 3-hydroxyacridine-9-carboxylate.
What is the SMILES notation for methyl 3-hydroxyacridine-9-carboxylate?
The canonical SMILES for methyl 3-hydroxyacridine-9-carboxylate is COC(=O)c1c2ccccc2nc2cc(O)ccc12.
What is the InChIKey of methyl 3-hydroxyacridine-9-carboxylate?
The InChIKey is JIYVIXCXTNKVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-19-15(18)14-10-4-2-3-5-12(10)16-13-8-9(17)6-7-11(13)14/h2-8,17H,1H3.
What are the key properties of methyl 3-hydroxyacridine-9-carboxylate?
methyl 3-hydroxyacridine-9-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxyacridine-9-carboxylate is sourced from PubChem (CID 135618678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).