phenyl acridine-9-carboxylate

C20H13NO2 — CID 517916

IUPACphenyl acridine-9-carboxylate
SMILESO=C(Oc1ccccc1)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H13NO2/c22-20(23-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H
InChIKeyQIYUZWMXMSNPRG-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.61
Rot. Bonds2

About phenyl acridine-9-carboxylate

phenyl acridine-9-carboxylate (PubChem CID 517916) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is phenyl acridine-9-carboxylate.

Molecular Properties

Compound Namephenyl acridine-9-carboxylate
PubChem CID517916
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Namephenyl acridine-9-carboxylate
SMILESO=C(Oc1ccccc1)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C20H13NO2/c22-20(23-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H
InChIKeyQIYUZWMXMSNPRG-UHFFFAOYSA-N
XLogP4.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl acridine-9-carboxylate?
The IUPAC name of phenyl acridine-9-carboxylate (CID 517916) is phenyl acridine-9-carboxylate.
What is the SMILES notation for phenyl acridine-9-carboxylate?
The canonical SMILES for phenyl acridine-9-carboxylate is O=C(Oc1ccccc1)c1c2ccccc2nc2ccccc12.
What is the InChIKey of phenyl acridine-9-carboxylate?
The InChIKey is QIYUZWMXMSNPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-20(23-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H.
What are the key properties of phenyl acridine-9-carboxylate?
phenyl acridine-9-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl acridine-9-carboxylate is sourced from PubChem (CID 517916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).