ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate

C20H19N3O5 — CID 3243668

IUPACethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12
InChIInChI=1S/C20H19N3O5/c1-3-28-17(24)12-21-19(25)18-15-9-4-5-10-16(15)20(26)23(22-18)13-7-6-8-14(11-13)27-2/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKeyYYEJPJDSVRCPFI-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.69
Rot. Bonds6

About ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate

ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate (PubChem CID 3243668) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate
PubChem CID3243668
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Nameethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12
InChIInChI=1S/C20H19N3O5/c1-3-28-17(24)12-21-19(25)18-15-9-4-5-10-16(15)20(26)23(22-18)13-7-6-8-14(11-13)27-2/h4-11H,3,12H2,1-2H3,(H,21,25)
InChIKeyYYEJPJDSVRCPFI-UHFFFAOYSA-N
XLogP1.69
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate (CID 3243668) is ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12.
What is the InChIKey of ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate?
The InChIKey is YYEJPJDSVRCPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-3-28-17(24)12-21-19(25)18-15-9-4-5-10-16(15)20(26)23(22-18)13-7-6-8-14(11-13)27-2/h4-11H,3,12H2,1-2H3,(H,21,25).
What are the key properties of ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate?
ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate has a molecular weight of 381.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate is sourced from PubChem (CID 3243668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).