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

C19H18N2O3 — CID 110193707

IUPACethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2C)c2ccccc2c1=O
InChIInChI=1S/C19H18N2O3/c1-3-24-17(22)12-21-19(23)16-11-7-6-10-15(16)18(20-21)14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3
InChIKeyFVDNILRFFBQQRT-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.94
Rot. Bonds4

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

ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate (PubChem CID 110193707) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate
PubChem CID110193707
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2C)c2ccccc2c1=O
InChIInChI=1S/C19H18N2O3/c1-3-24-17(22)12-21-19(23)16-11-7-6-10-15(16)18(20-21)14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3
InChIKeyFVDNILRFFBQQRT-UHFFFAOYSA-N
XLogP2.94
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-1-oxophthalazin-2-yl]acetate
CID 75123935
ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671911
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate
CID 2779137
ethyl 2-[4-[(1-methylindol-3-yl)methyl]-1-oxophthalazin-2-yl]acetate
CID 46175682
ethyl N-[[1-oxo-4-(2,4,6-trimethylphenyl)phthalazin-2-yl]methyl]carbamate
CID 153490287
ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
CID 872390
2-(4-oxo-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-3-yl)acetamide
CID 2052804
ethyl 2-[3-(hydroxymethyl)-4-oxophthalazin-1-yl]acetate
CID 14519538
ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate
CID 131732098
ethyl 3-(3-ethyl-4-oxophthalazin-1-yl)propanoate
CID 793412

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate (CID 110193707) is ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate is CCOC(=O)Cn1nc(-c2ccccc2C)c2ccccc2c1=O.
What is the InChIKey of ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate?
The InChIKey is FVDNILRFFBQQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-17(22)12-21-19(23)16-11-7-6-10-15(16)18(20-21)14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate?
ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate has a molecular weight of 322.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate is sourced from PubChem (CID 110193707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).