ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate

C19H18N2O3 — CID 3810481

IUPACethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate
SMILESCCOC(=O)C(C)n1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)13(2)21-18(22)16-12-8-7-11-15(16)17(20-21)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3
InChIKeyWQUUGYANKYOCNN-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.19
Rot. Bonds4

About ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate

ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate (PubChem CID 3810481) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate
PubChem CID3810481
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate
SMILESCCOC(=O)C(C)n1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)13(2)21-18(22)16-12-8-7-11-15(16)17(20-21)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3
InChIKeyWQUUGYANKYOCNN-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(bromomethyl)-1-oxophthalazin-2-yl]propanoate;ethyl 2-(4-methyl-1-oxophthalazin-2-yl)propanoate
CID 161392334
N-cyclohexyl-2-(1-oxo-4-phenylphthalazin-2-yl)propanamide
CID 11291808
ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426430
ethyl 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanoate
CID 20888137
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
N,N-diethyl-2-(4-methyl-1-oxophthalazin-2-yl)propanamide
CID 4193857
2-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)phthalazin-1-one
CID 82168013
ethyl 2-(4-oxo-2-pyridin-3-ylquinazolin-3-yl)propanoate
CID 23762682
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
2-acetyl-4-(4-phenylphenyl)phthalazin-1-one
CID 14591946
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide
CID 92667288
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate?
The IUPAC name of ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate (CID 3810481) is ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate?
The canonical SMILES for ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate is CCOC(=O)C(C)n1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate?
The InChIKey is WQUUGYANKYOCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(23)13(2)21-18(22)16-12-8-7-11-15(16)17(20-21)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate?
ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate has a molecular weight of 322.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)propanoate is sourced from PubChem (CID 3810481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).