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

C22H25N3O2 — CID 9293948

IUPAC3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
SMILESCCCc1ccc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H25N3O2/c1-4-7-16-10-12-17(13-11-16)23-21(26)20-18-8-5-6-9-19(18)22(27)25(24-20)14-15(2)3/h5-6,8-13,15H,4,7,14H2,1-3H3,(H,23,26)
InChIKeyDNNGQWXHOFFQSI-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.26
Rot. Bonds6

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

3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide (PubChem CID 9293948) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
PubChem CID9293948
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
SMILESCCCc1ccc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H25N3O2/c1-4-7-16-10-12-17(13-11-16)23-21(26)20-18-8-5-6-9-19(18)22(27)25(24-20)14-15(2)3/h5-6,8-13,15H,4,7,14H2,1-3H3,(H,23,26)
InChIKeyDNNGQWXHOFFQSI-UHFFFAOYSA-N
XLogP4.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)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-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
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
ethyl 4-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 7926438
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
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
N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55548029
N-[(2R)-2-(ethylamino)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 120653191

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide (CID 9293948) is 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide is CCCc1ccc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)cc1.
What is the InChIKey of 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide?
The InChIKey is DNNGQWXHOFFQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-7-16-10-12-17(13-11-16)23-21(26)20-18-8-5-6-9-19(18)22(27)25(24-20)14-15(2)3/h5-6,8-13,15H,4,7,14H2,1-3H3,(H,23,26).
What are the key properties of 3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide?
3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.26, 6 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-propylphenyl)phthalazine-1-carboxamide is sourced from PubChem (CID 9293948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).