N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide

C17H15N3O4 — CID 110734555

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2c(=O)[nH][nH]c(=O)c2c1
InChIInChI=1S/C17H15N3O4/c1-24-14-5-3-2-4-10(14)8-15(21)18-11-6-7-12-13(9-11)17(23)20-19-16(12)22/h2-7,9H,8H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyLRWCMXVRRKSONK-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.41
Rot. Bonds4

About N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide

N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 110734555) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID110734555
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc2c(=O)[nH][nH]c(=O)c2c1
InChIInChI=1S/C17H15N3O4/c1-24-14-5-3-2-4-10(14)8-15(21)18-11-6-7-12-13(9-11)17(23)20-19-16(12)22/h2-7,9H,8H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyLRWCMXVRRKSONK-UHFFFAOYSA-N
XLogP1.41
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide (CID 110734555) is N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1ccc2c(=O)[nH][nH]c(=O)c2c1.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is LRWCMXVRRKSONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-14-5-3-2-4-10(14)8-15(21)18-11-6-7-12-13(9-11)17(23)20-19-16(12)22/h2-7,9H,8H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 325.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 110734555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).