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

C18H16N2O3 — CID 697435

IUPACethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H16N2O3/c1-2-23-16(21)12-20-18(22)15-11-7-6-10-14(15)17(19-20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyYRMMNFZTLRYVJP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.63
Rot. Bonds4

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

ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate (PubChem CID 697435) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
PubChem CID697435
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H16N2O3/c1-2-23-16(21)12-20-18(22)15-11-7-6-10-14(15)17(19-20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyYRMMNFZTLRYVJP-UHFFFAOYSA-N
XLogP2.63
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
(1-Oxo-4-phenyl-2(1H)-phthalazinyl)acetic acid
CID 819382
Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate
CID 2821704
4-(5-Morpholin-4-yl-pentyl)-2H-phthalazin-1-one
CID 44403402
4-(4-Morpholin-4-yl-butyl)-2H-phthalazin-1-one
CID 44403404
N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 714735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
The IUPAC name of ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate (CID 697435) is ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate is CCOC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
The InChIKey is YRMMNFZTLRYVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-16(21)12-20-18(22)15-11-7-6-10-14(15)17(19-20)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate?
ethyl 2-(1-oxo-4-phenylphthalazin-2-yl)acetate has a molecular weight of 308.34 g/mol, XLogP of 2.63, 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)acetate is sourced from PubChem (CID 697435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).