N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

C20H22N4O2 — CID 3155242

IUPACN-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H22N4O2/c1-23(2)13-12-21-19(25)15-10-8-14(9-11-15)18-16-6-4-5-7-17(16)20(26)24(3)22-18/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyDVQCKUSWEHWORO-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (PubChem CID 3155242) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
PubChem CID3155242
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C20H22N4O2/c1-23(2)13-12-21-19(25)15-10-8-14(9-11-15)18-16-6-4-5-7-17(16)20(26)24(3)22-18/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyDVQCKUSWEHWORO-UHFFFAOYSA-N
XLogP1.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (CID 3155242) is N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is CN(C)CCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The InChIKey is DVQCKUSWEHWORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23(2)13-12-21-19(25)15-10-8-14(9-11-15)18-16-6-4-5-7-17(16)20(26)24(3)22-18/h4-11H,12-13H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is sourced from PubChem (CID 3155242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).