3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide

C28H21N3O4 — CID 3513203

IUPAC3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide
SMILESCOc1cccc(-n2nc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3c2=O)c1
InChIInChI=1S/C28H21N3O4/c1-34-23-11-7-8-20(18-23)31-28(33)25-13-6-5-12-24(25)26(30-31)27(32)29-19-14-16-22(17-15-19)35-21-9-3-2-4-10-21/h2-18H,1H3,(H,29,32)
InChIKeyOSVRWRRZRCGDCN-UHFFFAOYSA-N
MW463.49 g/mol
LogP5.44
Rot. Bonds6

About 3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide

3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide (PubChem CID 3513203) has the molecular formula C28H21N3O4 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide
PubChem CID3513203
Molecular FormulaC28H21N3O4
Molecular Weight463.49 g/mol
Exact Mass463.15
IUPAC Name3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide
SMILESCOc1cccc(-n2nc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3c2=O)c1
InChIInChI=1S/C28H21N3O4/c1-34-23-11-7-8-20(18-23)31-28(33)25-13-6-5-12-24(25)26(30-31)27(32)29-19-14-16-22(17-15-19)35-21-9-3-2-4-10-21/h2-18H,1H3,(H,29,32)
InChIKeyOSVRWRRZRCGDCN-UHFFFAOYSA-N
XLogP5.44
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide
CID 20970744
3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxophthalazine-1-carboxamide
CID 3525076
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 15992156
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
N,3-bis(4-ethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 20970771
N-[3-(N-ethylanilino)propyl]-3-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4090836
4-hydroxy-1-(3-methylphenyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 108785020
diethyl-[3-[[3-(3-methoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]propyl]azanium
CID 3362601

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide (CID 3513203) is 3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide is COc1cccc(-n2nc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3c2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide?
The InChIKey is OSVRWRRZRCGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O4/c1-34-23-11-7-8-20(18-23)31-28(33)25-13-6-5-12-24(25)26(30-31)27(32)29-19-14-16-22(17-15-19)35-21-9-3-2-4-10-21/h2-18H,1H3,(H,29,32).
What are the key properties of 3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide?
3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-4-oxo-N-(4-phenoxyphenyl)phthalazine-1-carboxamide is sourced from PubChem (CID 3513203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).