3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide

C19H14N4O4 — CID 31508107

IUPAC3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3nn(C)c(=O)c4ccccc34)cc2C1=O
InChIInChI=1S/C19H14N4O4/c1-22-17(25)13-8-7-10(9-14(13)18(22)26)20-16(24)15-11-5-3-4-6-12(11)19(27)23(2)21-15/h3-9H,1-2H3,(H,20,24)
InChIKeyAPVOQJUQSAGFST-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.41
Rot. Bonds2

About 3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide

3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide (PubChem CID 31508107) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
PubChem CID31508107
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3nn(C)c(=O)c4ccccc34)cc2C1=O
InChIInChI=1S/C19H14N4O4/c1-22-17(25)13-8-7-10(9-14(13)18(22)26)20-16(24)15-11-5-3-4-6-12(11)19(27)23(2)21-15/h3-9H,1-2H3,(H,20,24)
InChIKeyAPVOQJUQSAGFST-UHFFFAOYSA-N
XLogP1.41
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 8699316
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 3525242
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751
N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7942994
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
CID 4174312
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 1322308

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide (CID 31508107) is 3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide is CN1C(=O)c2ccc(NC(=O)c3nn(C)c(=O)c4ccccc34)cc2C1=O.
What is the InChIKey of 3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide?
The InChIKey is APVOQJUQSAGFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c1-22-17(25)13-8-7-10(9-14(13)18(22)26)20-16(24)15-11-5-3-4-6-12(11)19(27)23(2)21-15/h3-9H,1-2H3,(H,20,24).
What are the key properties of 3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide?
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 31508107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).