methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate

C16H19N3O6 — CID 71710263

IUPACmethyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O
InChIInChI=1S/C16H19N3O6/c1-23-11-5-4-10-8-18-19(16(22)14(10)15(11)25-3)9-12(20)17-7-6-13(21)24-2/h4-5,8H,6-7,9H2,1-3H3,(H,17,20)
InChIKeyUUXKZUCMUGWLAA-UHFFFAOYSA-N
MW349.34 g/mol
LogP0.09
Rot. Bonds7

About methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate

methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate (PubChem CID 71710263) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate
PubChem CID71710263
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Namemethyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O
InChIInChI=1S/C16H19N3O6/c1-23-11-5-4-10-8-18-19(16(22)14(10)15(11)25-3)9-12(20)17-7-6-13(21)24-2/h4-5,8H,6-7,9H2,1-3H3,(H,17,20)
InChIKeyUUXKZUCMUGWLAA-UHFFFAOYSA-N
XLogP0.09
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetate
CID 45490728
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 52905386
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]acetamide
CID 71701010
N-[2-(benzimidazol-1-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 71946737
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-pyridin-2-ylacetamide
CID 71705829
N-(4-chlorophenyl)-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 39354909
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51973992
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75490330
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 56763640
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 110204689
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 75490000
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetamide
CID 91822051

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate (CID 71710263) is methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate is COC(=O)CCNC(=O)Cn1ncc2ccc(OC)c(OC)c2c1=O.
What is the InChIKey of methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate?
The InChIKey is UUXKZUCMUGWLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-23-11-5-4-10-8-18-19(16(22)14(10)15(11)25-3)9-12(20)17-7-6-13(21)24-2/h4-5,8H,6-7,9H2,1-3H3,(H,17,20).
What are the key properties of methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate?
methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate has a molecular weight of 349.34 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]propanoate is sourced from PubChem (CID 71710263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).