2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid

C16H17N3O5 — CID 153189612

IUPAC2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid
SMILESO=C(O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12
InChIInChI=1S/C16H17N3O5/c20-14(18-5-7-24-8-6-18)10-19-16(23)12-4-2-1-3-11(12)13(17-19)9-15(21)22/h1-4H,5-10H2,(H,21,22)
InChIKeyWHTXOPVACLPBIE-UHFFFAOYSA-N
MW331.33 g/mol
LogP-0.12
Rot. Bonds4

About 2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid

2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid (PubChem CID 153189612) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid
PubChem CID153189612
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid
SMILESO=C(O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12
InChIInChI=1S/C16H17N3O5/c20-14(18-5-7-24-8-6-18)10-19-16(23)12-4-2-1-3-11(12)13(17-19)9-15(21)22/h1-4H,5-10H2,(H,21,22)
InChIKeyWHTXOPVACLPBIE-UHFFFAOYSA-N
XLogP-0.12
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazin-1-yl]acetic acid
CID 102534128
3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxylate
CID 2376076
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
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxylate
CID 2386910
4-cyclopropyl-6-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 30607360
3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919653
5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 46952351
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 654746
2-[3-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]-4-oxophthalazin-1-yl]acetic acid
CID 15713963
4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one
CID 146044386

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid (CID 153189612) is 2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid is O=C(O)Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12.
What is the InChIKey of 2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid?
The InChIKey is WHTXOPVACLPBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-14(18-5-7-24-8-6-18)10-19-16(23)12-4-2-1-3-11(12)13(17-19)9-15(21)22/h1-4H,5-10H2,(H,21,22).
What are the key properties of 2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid?
2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid has a molecular weight of 331.33 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazin-1-yl]acetic acid is sourced from PubChem (CID 153189612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).