ethyl 4-morpholin-4-ylphthalazine-1-carboxylate

C15H17N3O3 — CID 42878220

IUPACethyl 4-morpholin-4-ylphthalazine-1-carboxylate
SMILESCCOC(=O)c1nnc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C15H17N3O3/c1-2-21-15(19)13-11-5-3-4-6-12(11)14(17-16-13)18-7-9-20-10-8-18/h3-6H,2,7-10H2,1H3
InChIKeyDIIQCZUOKDJYFX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.64
Rot. Bonds3

About ethyl 4-morpholin-4-ylphthalazine-1-carboxylate

ethyl 4-morpholin-4-ylphthalazine-1-carboxylate (PubChem CID 42878220) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 4-morpholin-4-ylphthalazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-ylphthalazine-1-carboxylate
PubChem CID42878220
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 4-morpholin-4-ylphthalazine-1-carboxylate
SMILESCCOC(=O)c1nnc(N2CCOCC2)c2ccccc12
InChIInChI=1S/C15H17N3O3/c1-2-21-15(19)13-11-5-3-4-6-12(11)14(17-16-13)18-7-9-20-10-8-18/h3-6H,2,7-10H2,1H3
InChIKeyDIIQCZUOKDJYFX-UHFFFAOYSA-N
XLogP1.64
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate
CID 2816171
ethyl 5-morpholin-4-ylimidazo[1,5-a]quinazoline-3-carboxylate
CID 18953495
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 123952017
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
CID 3021583
methyl 4-(4-methylpiperazin-1-yl)phthalazine-1-carboxylate
CID 6418780
ethyl 6-bromo-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 162374440
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733
ethyl 3-[(1-morpholin-4-ylisoquinoline-4-carbonyl)amino]benzoate
CID 46360319
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
CID 779668
N-(2-methylphenyl)-2-(4-morpholin-4-ylphthalazin-1-yl)sulfanylacetamide
CID 22425713
ethyl 4-morpholin-4-yl-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 70596773
ethyl 5-hydroxy-1-methyl-2-(2-morpholin-4-ylphenyl)-6-oxopyrimidine-4-carboxylate
CID 54691437

Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-ylphthalazine-1-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-ylphthalazine-1-carboxylate (CID 42878220) is ethyl 4-morpholin-4-ylphthalazine-1-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-ylphthalazine-1-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-ylphthalazine-1-carboxylate is CCOC(=O)c1nnc(N2CCOCC2)c2ccccc12.
What is the InChIKey of ethyl 4-morpholin-4-ylphthalazine-1-carboxylate?
The InChIKey is DIIQCZUOKDJYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-21-15(19)13-11-5-3-4-6-12(11)14(17-16-13)18-7-9-20-10-8-18/h3-6H,2,7-10H2,1H3.
What are the key properties of ethyl 4-morpholin-4-ylphthalazine-1-carboxylate?
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-ylphthalazine-1-carboxylate is sourced from PubChem (CID 42878220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).