(2-oxo-1-pyridinyl) anthracene-9-carboxylate

C20H13NO3 — CID 12022904

IUPAC(2-oxo-1-pyridinyl) anthracene-9-carboxylate
SMILESO=C(On1ccccc1=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H13NO3/c22-18-11-5-6-12-21(18)24-20(23)19-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)19/h1-13H
InChIKeyMVVNFCPLTATMDE-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.42
Rot. Bonds2

About (2-oxo-1-pyridinyl) anthracene-9-carboxylate

(2-oxo-1-pyridinyl) anthracene-9-carboxylate (PubChem CID 12022904) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is (2-oxo-1-pyridinyl) anthracene-9-carboxylate.

Molecular Properties

Compound Name(2-oxo-1-pyridinyl) anthracene-9-carboxylate
PubChem CID12022904
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name(2-oxo-1-pyridinyl) anthracene-9-carboxylate
SMILESO=C(On1ccccc1=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H13NO3/c22-18-11-5-6-12-21(18)24-20(23)19-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)19/h1-13H
InChIKeyMVVNFCPLTATMDE-UHFFFAOYSA-N
XLogP3.42
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-oxo-1-pyridinyl) anthracene-9-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 (2-oxo-1-pyridinyl) anthracene-9-carboxylate?
The IUPAC name of (2-oxo-1-pyridinyl) anthracene-9-carboxylate (CID 12022904) is (2-oxo-1-pyridinyl) anthracene-9-carboxylate.
What is the SMILES notation for (2-oxo-1-pyridinyl) anthracene-9-carboxylate?
The canonical SMILES for (2-oxo-1-pyridinyl) anthracene-9-carboxylate is O=C(On1ccccc1=O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of (2-oxo-1-pyridinyl) anthracene-9-carboxylate?
The InChIKey is MVVNFCPLTATMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-18-11-5-6-12-21(18)24-20(23)19-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)19/h1-13H.
What are the key properties of (2-oxo-1-pyridinyl) anthracene-9-carboxylate?
(2-oxo-1-pyridinyl) anthracene-9-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-pyridinyl) anthracene-9-carboxylate is sourced from PubChem (CID 12022904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).