methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate

C17H14N2O3 — CID 745851

IUPACmethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
SMILESCOC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-22-15(20)11-19-17(21)14-10-6-5-9-13(14)16(18-19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyQEVVWQMLRGPHMT-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.24
Rot. Bonds3

About methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate

methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate (PubChem CID 745851) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
PubChem CID745851
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Namemethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
SMILESCOC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C17H14N2O3/c1-22-15(20)11-19-17(21)14-10-6-5-9-13(14)16(18-19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyQEVVWQMLRGPHMT-UHFFFAOYSA-N
XLogP2.24
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Oxo-2(1H)-phthalazinyl)acetic acid
CID 977525
(4-Benzyl-1-oxophthalazin-2(1H)-yl)acetic acid
CID 646907
2-(4-Methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetic acid
CID 819380
Talastine
CID 65624
2-Methyl-4-(phenylmethyl)phthalazin-1-one
CID 619552
4-methyl-2-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)phthalazin-1(2H)-one
CID 709326
Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
CID 895376
4-Methyl-1-oxo-2(1H)-phthalazineacetamide
CID 658785
(1-Oxo-4-phenyl-2(1H)-phthalazinyl)acetic acid
CID 819382
2-(1-Oxo-4-phenyl-2(1H)-phthalazinyl)acetohydrazide
CID 712918
Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate
CID 2821704
N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 714735

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
The IUPAC name of methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate (CID 745851) is methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
The canonical SMILES for methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate is COC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
The InChIKey is QEVVWQMLRGPHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-15(20)11-19-17(21)14-10-6-5-9-13(14)16(18-19)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate has a molecular weight of 294.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate is sourced from PubChem (CID 745851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).