3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide

C19H19N3O2 — CID 2678485

IUPAC3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-12(2)13-8-6-7-11-16(13)20-18(23)17-14-9-4-5-10-15(14)19(24)22(3)21-17/h4-12H,1-3H3,(H,20,23)
InChIKeyMRRTWJGXBICEJM-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.31
Rot. Bonds3

About 3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide

3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide (PubChem CID 2678485) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
PubChem CID2678485
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-12(2)13-8-6-7-11-16(13)20-18(23)17-14-9-4-5-10-15(14)19(24)22(3)21-17/h4-12H,1-3H3,(H,20,23)
InChIKeyMRRTWJGXBICEJM-UHFFFAOYSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2670711
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2591019
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195
methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 4812601
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 7352355
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
4-methyl-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 9402137
1,4-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110858040

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide (CID 2678485) is 3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide is CC(C)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of 3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide?
The InChIKey is MRRTWJGXBICEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)13-8-6-7-11-16(13)20-18(23)17-14-9-4-5-10-15(14)19(24)22(3)21-17/h4-12H,1-3H3,(H,20,23).
What are the key properties of 3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide?
3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide is sourced from PubChem (CID 2678485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).