N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide

C18H17N3O2 — CID 2704863

IUPACN-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c(C)c1
InChIInChI=1S/C18H17N3O2/c1-11-8-9-15(12(2)10-11)19-17(22)16-13-6-4-5-7-14(13)18(23)21(3)20-16/h4-10H,1-3H3,(H,19,22)
InChIKeyIBXWSRBRGHEOTI-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.80
Rot. Bonds2

About N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 2704863) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID2704863
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c(C)c1
InChIInChI=1S/C18H17N3O2/c1-11-8-9-15(12(2)10-11)19-17(22)16-13-6-4-5-7-14(13)18(23)21(3)20-16/h4-10H,1-3H3,(H,19,22)
InChIKeyIBXWSRBRGHEOTI-UHFFFAOYSA-N
XLogP2.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-dimethylanilino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 2387383
N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 24652598
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
4-methyl-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 9402137
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 2678485
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4798591
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-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137290391
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 2704863) is N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide is Cc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is IBXWSRBRGHEOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-9-15(12(2)10-11)19-17(22)16-13-6-4-5-7-14(13)18(23)21(3)20-16/h4-10H,1-3H3,(H,19,22).
What are the key properties of N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2704863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).