ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate

C24H24N4O5 — CID 50838244

IUPACethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)c1
InChIInChI=1S/C24H24N4O5/c1-2-32-24(30)18-4-3-5-19(16-18)27-22(29)17-6-8-20(9-7-17)33-23-21(25-10-11-26-23)28-12-14-31-15-13-28/h3-11,16H,2,12-15H2,1H3,(H,27,29)
InChIKeyPQHQYJQGZKGLKI-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.53
Rot. Bonds7

About ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate

ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate (PubChem CID 50838244) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate
PubChem CID50838244
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Nameethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)c1
InChIInChI=1S/C24H24N4O5/c1-2-32-24(30)18-4-3-5-19(16-18)27-22(29)17-6-8-20(9-7-17)33-23-21(25-10-11-26-23)28-12-14-31-15-13-28/h3-11,16H,2,12-15H2,1H3,(H,27,29)
InChIKeyPQHQYJQGZKGLKI-UHFFFAOYSA-N
XLogP3.53
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate 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 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate?
The IUPAC name of ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate (CID 50838244) is ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)c1.
What is the InChIKey of ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate?
The InChIKey is PQHQYJQGZKGLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-2-32-24(30)18-4-3-5-19(16-18)27-22(29)17-6-8-20(9-7-17)33-23-21(25-10-11-26-23)28-12-14-31-15-13-28/h3-11,16H,2,12-15H2,1H3,(H,27,29).
What are the key properties of ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate?
ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate has a molecular weight of 448.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(3-morpholin-4-ylpyrazin-2-yl)oxybenzoyl]amino]benzoate is sourced from PubChem (CID 50838244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).