4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate

C23H15N2O4- — CID 8006172

IUPAC4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate
SMILESO=C([O-])c1nn([C@@H](C(=O)c2ccccc2)c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H16N2O4/c26-21(16-11-5-2-6-12-16)20(15-9-3-1-4-10-15)25-22(27)18-14-8-7-13-17(18)19(24-25)23(28)29/h1-14,20H,(H,28,29)/p-1/t20-/m1/s1
InChIKeyJEOIPYRHWOCUII-HXUWFJFHSA-M
MW383.38 g/mol
LogP2.23
Rot. Bonds5

About 4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate

4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate (PubChem CID 8006172) has the molecular formula C23H15N2O4- and a molecular weight of 383.38 g/mol. Its IUPAC name is 4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate.

Molecular Properties

Compound Name4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate
PubChem CID8006172
Molecular FormulaC23H15N2O4-
Molecular Weight383.38 g/mol
Exact Mass383.10
IUPAC Name4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate
SMILESO=C([O-])c1nn([C@@H](C(=O)c2ccccc2)c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H16N2O4/c26-21(16-11-5-2-6-12-16)20(15-9-3-1-4-10-15)25-22(27)18-14-8-7-13-17(18)19(24-25)23(28)29/h1-14,20H,(H,28,29)/p-1/t20-/m1/s1
InChIKeyJEOIPYRHWOCUII-HXUWFJFHSA-M
XLogP2.23
TPSA92.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-4-oxophthalazine-1-carboxylate
CID 8006017
3-[(2S)-1-anilino-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate
CID 2627389
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
3-(2-benzoyloxyethyl)-4-oxophthalazine-1-carboxylate
CID 2477469
3-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate
CID 2627386
3-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate
CID 2627383
3-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate
CID 2627397
4-oxo-3-(2-phenoxyethyl)phthalazine-1-carboxylate
CID 7870157
3-[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539148
1-(2-oxo-1,2-diphenylethyl)pyridin-2-one
CID 3828854
4-oxo-3-[(1S)-2-oxocyclopentyl]phthalazine-1-carboxylate
CID 2682482
3-[1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16556553

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate?
The IUPAC name of 4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate (CID 8006172) is 4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate.
What is the SMILES notation for 4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate?
The canonical SMILES for 4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate is O=C([O-])c1nn([C@@H](C(=O)c2ccccc2)c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate?
The InChIKey is JEOIPYRHWOCUII-HXUWFJFHSA-M. The full InChI is InChI=1S/C23H16N2O4/c26-21(16-11-5-2-6-12-16)20(15-9-3-1-4-10-15)25-22(27)18-14-8-7-13-17(18)19(24-25)23(28)29/h1-14,20H,(H,28,29)/p-1/t20-/m1/s1.
What are the key properties of 4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate?
4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate has a molecular weight of 383.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-[(1R)-2-oxo-1,2-diphenylethyl]phthalazine-1-carboxylate is sourced from PubChem (CID 8006172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).