3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide

C25H23N3O2 — CID 7925968

IUPAC3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)Nc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O
InChIInChI=1S/C25H23N3O2/c1-17(2)16-28-25(30)22-11-7-6-10-21(22)23(27-28)24(29)26-20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,26,29)
InChIKeyXYJYYLASRXDLAT-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.97
Rot. Bonds5

About 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide

3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide (PubChem CID 7925968) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
PubChem CID7925968
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)Nc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O
InChIInChI=1S/C25H23N3O2/c1-17(2)16-28-25(30)22-11-7-6-10-21(22)23(27-28)24(29)26-20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,26,29)
InChIKeyXYJYYLASRXDLAT-UHFFFAOYSA-N
XLogP4.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide 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

3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
CID 9293948
N-[4-[(2R)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 7935649
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493
ethyl 4-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 7926438
N-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51159012
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55389586
3-(2-methylpropyl)-4-oxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]phthalazine-1-carboxamide
CID 55669577
3-(2-methylpropyl)-4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]phthalazine-1-carboxamide
CID 49035047
3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
CID 51194000

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide (CID 7925968) is 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide is CC(C)Cn1nc(C(=O)Nc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide?
The InChIKey is XYJYYLASRXDLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17(2)16-28-25(30)22-11-7-6-10-21(22)23(27-28)24(29)26-20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,26,29).
What are the key properties of 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide?
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide is sourced from PubChem (CID 7925968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).