N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide

C20H19BrN4O3 — CID 24816710

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C20H19BrN4O3/c1-13-9-14(21)7-8-15(13)23-18(26)11-24(2)20(28)12-25-17-6-4-3-5-16(17)22-10-19(25)27/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyYKAXUOJALAKHKS-UHFFFAOYSA-N
MW443.30 g/mol
LogP2.56
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 24816710) has the molecular formula C20H19BrN4O3 and a molecular weight of 443.30 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID24816710
Molecular FormulaC20H19BrN4O3
Molecular Weight443.30 g/mol
Exact Mass442.06
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C20H19BrN4O3/c1-13-9-14(21)7-8-15(13)23-18(26)11-24(2)20(28)12-25-17-6-4-3-5-16(17)22-10-19(25)27/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyYKAXUOJALAKHKS-UHFFFAOYSA-N
XLogP2.56
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide 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-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide (CID 24816710) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is YKAXUOJALAKHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3/c1-13-9-14(21)7-8-15(13)23-18(26)11-24(2)20(28)12-25-17-6-4-3-5-16(17)22-10-19(25)27/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 443.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 24816710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).