ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate

C20H25N3O4 — CID 15030236

IUPACethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCC2CN(c3ccc(C)nn3)CCO2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-25-20(24)16-5-7-17(8-6-16)26-12-10-18-14-23(11-13-27-18)19-9-4-15(2)21-22-19/h4-9,18H,3,10-14H2,1-2H3
InChIKeySOGNSBBKLSTULS-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.64
Rot. Bonds7

About ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate

ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate (PubChem CID 15030236) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate
PubChem CID15030236
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nameethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCC2CN(c3ccc(C)nn3)CCO2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-25-20(24)16-5-7-17(8-6-16)26-12-10-18-14-23(11-13-27-18)19-9-4-15(2)21-22-19/h4-9,18H,3,10-14H2,1-2H3
InChIKeySOGNSBBKLSTULS-UHFFFAOYSA-N
XLogP2.64
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate (CID 15030236) is ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate is CCOC(=O)c1ccc(OCCC2CN(c3ccc(C)nn3)CCO2)cc1.
What is the InChIKey of ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate?
The InChIKey is SOGNSBBKLSTULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-25-20(24)16-5-7-17(8-6-16)26-12-10-18-14-23(11-13-27-18)19-9-4-15(2)21-22-19/h4-9,18H,3,10-14H2,1-2H3.
What are the key properties of ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate?
ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate has a molecular weight of 371.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethoxy]benzoate is sourced from PubChem (CID 15030236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).