ethyl 9-oxo-10H-acridine-3-carboxylate

C16H13NO3 — CID 23648230

IUPACethyl 9-oxo-10H-acridine-3-carboxylate
SMILESCCOC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1
InChIInChI=1S/C16H13NO3/c1-2-20-16(19)10-7-8-12-14(9-10)17-13-6-4-3-5-11(13)15(12)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeyMSRVWFZBNPFFSH-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.86
Rot. Bonds2

About ethyl 9-oxo-10H-acridine-3-carboxylate

ethyl 9-oxo-10H-acridine-3-carboxylate (PubChem CID 23648230) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 9-oxo-10H-acridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-oxo-10H-acridine-3-carboxylate
PubChem CID23648230
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Nameethyl 9-oxo-10H-acridine-3-carboxylate
SMILESCCOC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1
InChIInChI=1S/C16H13NO3/c1-2-20-16(19)10-7-8-12-14(9-10)17-13-6-4-3-5-11(13)15(12)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeyMSRVWFZBNPFFSH-UHFFFAOYSA-N
XLogP2.86
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 9-oxo-10H-acridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 9-oxo-10H-acridine-3-carboxylate?
The IUPAC name of ethyl 9-oxo-10H-acridine-3-carboxylate (CID 23648230) is ethyl 9-oxo-10H-acridine-3-carboxylate.
What is the SMILES notation for ethyl 9-oxo-10H-acridine-3-carboxylate?
The canonical SMILES for ethyl 9-oxo-10H-acridine-3-carboxylate is CCOC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1.
What is the InChIKey of ethyl 9-oxo-10H-acridine-3-carboxylate?
The InChIKey is MSRVWFZBNPFFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-20-16(19)10-7-8-12-14(9-10)17-13-6-4-3-5-11(13)15(12)18/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 9-oxo-10H-acridine-3-carboxylate?
ethyl 9-oxo-10H-acridine-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-oxo-10H-acridine-3-carboxylate is sourced from PubChem (CID 23648230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).