2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide

C19H19N3O4 — CID 90489934

IUPAC2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2nn(C)c(=O)c3ccccc23)c1OC
InChIInChI=1S/C19H19N3O4/c1-22-19(24)13-8-5-4-7-12(13)15(21-22)11-20-18(23)14-9-6-10-16(25-2)17(14)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyJPSSADHUFMULED-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.88
Rot. Bonds5

About 2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide

2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide (PubChem CID 90489934) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
PubChem CID90489934
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2nn(C)c(=O)c3ccccc23)c1OC
InChIInChI=1S/C19H19N3O4/c1-22-19(24)13-8-5-4-7-12(13)15(21-22)11-20-18(23)14-9-6-10-16(25-2)17(14)26-3/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyJPSSADHUFMULED-UHFFFAOYSA-N
XLogP1.88
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
CID 90490047
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90489856
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 71779482
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90489886
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
2-methoxy-N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]benzamide
CID 3659263
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
CID 90489965
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide (CID 90489934) is 2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide is COc1cccc(C(=O)NCc2nn(C)c(=O)c3ccccc23)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
The InChIKey is JPSSADHUFMULED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-22-19(24)13-8-5-4-7-12(13)15(21-22)11-20-18(23)14-9-6-10-16(25-2)17(14)26-3/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide is sourced from PubChem (CID 90489934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).