N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide

C18H17N3O2 — CID 2710143

IUPACN-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C18H17N3O2/c1-11-8-12(2)10-13(9-11)19-17(22)16-14-6-4-5-7-15(14)18(23)21(3)20-16/h4-10H,1-3H3,(H,19,22)
InChIKeyDRAQVUBNVPVOFZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.80
Rot. Bonds2

About N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 2710143) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID2710143
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C18H17N3O2/c1-11-8-12(2)10-13(9-11)19-17(22)16-14-6-4-5-7-15(14)18(23)21(3)20-16/h4-10H,1-3H3,(H,19,22)
InChIKeyDRAQVUBNVPVOFZ-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

N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 3525242
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
CID 31508107
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7948525
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4798591
N-(9H-fluoren-3-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 8699316
N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 2678485

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 2710143) is N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide is Cc1cc(C)cc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is DRAQVUBNVPVOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-12(2)10-13(9-11)19-17(22)16-14-6-4-5-7-15(14)18(23)21(3)20-16/h4-10H,1-3H3,(H,19,22).
What are the key properties of N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(3,5-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-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2710143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).