ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate

C19H18N2O4 — CID 5204002

IUPACethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H18N2O4/c1-3-25-17(22)12-21-19(23)16-7-5-4-6-15(16)18(20-21)13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyRICDNWUJMIELIV-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.64
Rot. Bonds5

About ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate

ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate (PubChem CID 5204002) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
PubChem CID5204002
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H18N2O4/c1-3-25-17(22)12-21-19(23)16-7-5-4-6-15(16)18(20-21)13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyRICDNWUJMIELIV-UHFFFAOYSA-N
XLogP2.64
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate
CID 110193707
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(propan-2-ylideneamino)acetamide
CID 44724691
ethyl 2-[5-(4-methoxyphenyl)-3-methyl-6-oxopyridazin-1-yl]acetate
CID 71698444
2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 44722763
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one
CID 24651279
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-1-oxophthalazin-2-yl]acetate
CID 75123935
4-(4-methylphenyl)-2-phenacylphthalazin-1-one
CID 22333322
(4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate
CID 142710333
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
CID 59813948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate (CID 5204002) is ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate is CCOC(=O)Cn1nc(-c2ccc(OC)cc2)c2ccccc2c1=O.
What is the InChIKey of ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate?
The InChIKey is RICDNWUJMIELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-17(22)12-21-19(23)16-7-5-4-6-15(16)18(20-21)13-8-10-14(24-2)11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate?
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate has a molecular weight of 338.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate is sourced from PubChem (CID 5204002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).