3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate

C15H14N3O5- — CID 2376076

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate
SMILESO=C([O-])c1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12
InChIInChI=1S/C15H15N3O5/c19-12(17-5-7-23-8-6-17)9-18-14(20)11-4-2-1-3-10(11)13(16-18)15(21)22/h1-4H,5-9H2,(H,21,22)/p-1
InChIKeyFAMQMHBSCFECEI-UHFFFAOYSA-M
MW316.29 g/mol
LogP-1.38
Rot. Bonds3

About 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate

3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate (PubChem CID 2376076) has the molecular formula C15H14N3O5- and a molecular weight of 316.29 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate
PubChem CID2376076
Molecular FormulaC15H14N3O5-
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate
SMILESO=C([O-])c1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12
InChIInChI=1S/C15H15N3O5/c19-12(17-5-7-23-8-6-17)9-18-14(20)11-4-2-1-3-10(11)13(16-18)15(21)22/h1-4H,5-9H2,(H,21,22)/p-1
InChIKeyFAMQMHBSCFECEI-UHFFFAOYSA-M
XLogP-1.38
TPSA104.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate
CID 2386910
2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid
CID 153189612
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2386911
4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2363596
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-2-pentylphthalazin-1-one
CID 55496276
(2-morpholin-4-yl-2-oxoethyl) 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 7500559
4-oxo-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid
CID 16611070
3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2347297
3-[2-(dicyclohexylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394131
2-[4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazin-1-yl]acetic acid
CID 102534128
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 654746

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate (CID 2376076) is 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate is O=C([O-])c1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate?
The InChIKey is FAMQMHBSCFECEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15N3O5/c19-12(17-5-7-23-8-6-17)9-18-14(20)11-4-2-1-3-10(11)13(16-18)15(21)22/h1-4H,5-9H2,(H,21,22)/p-1.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate?
3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate has a molecular weight of 316.29 g/mol, XLogP of -1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 2376076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).