4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate

C24H18N3O5- — CID 2387555

IUPAC4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate
SMILESO=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H19N3O5/c28-21(14-27-23(29)20-9-5-4-8-19(20)22(26-27)24(30)31)25-17-10-12-18(13-11-17)32-15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,28)(H,30,31)/p-1
InChIKeyVJBQFIHAHHORBT-UHFFFAOYSA-M
MW428.42 g/mol
LogP1.98
Rot. Bonds7

About 4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate

4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate (PubChem CID 2387555) has the molecular formula C24H18N3O5- and a molecular weight of 428.42 g/mol. Its IUPAC name is 4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate.

Molecular Properties

Compound Name4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate
PubChem CID2387555
Molecular FormulaC24H18N3O5-
Molecular Weight428.42 g/mol
Exact Mass428.13
IUPAC Name4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate
SMILESO=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H19N3O5/c28-21(14-27-23(29)20-9-5-4-8-19(20)22(26-27)24(30)31)25-17-10-12-18(13-11-17)32-15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,28)(H,30,31)/p-1
InChIKeyVJBQFIHAHHORBT-UHFFFAOYSA-M
XLogP1.98
TPSA113.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylic acid
CID 2387556
3-[2-(2-chloroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2351837
4-oxo-3-(2-phenoxyethyl)phthalazine-1-carboxylate
CID 7870157
3-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539285
3-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2394049
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509155
4-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylate
CID 2379329
3-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-oxophthalazine-1-carboxamide
CID 55658035
3-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2388769
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate?
The IUPAC name of 4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate (CID 2387555) is 4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate.
What is the SMILES notation for 4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate?
The canonical SMILES for 4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate is O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate?
The InChIKey is VJBQFIHAHHORBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19N3O5/c28-21(14-27-23(29)20-9-5-4-8-19(20)22(26-27)24(30)31)25-17-10-12-18(13-11-17)32-15-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,28)(H,30,31)/p-1.
What are the key properties of 4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate?
4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate has a molecular weight of 428.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]phthalazine-1-carboxylate is sourced from PubChem (CID 2387555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).