N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide

C18H16BrN3O2 — CID 50808168

IUPACN-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(Br)c(C)c2)nc2ccccc21
InChIInChI=1S/C18H16BrN3O2/c1-3-22-15-7-5-4-6-14(15)21-16(18(22)24)17(23)20-12-8-9-13(19)11(2)10-12/h4-10H,3H2,1-2H3,(H,20,23)
InChIKeyLUJUEVTWFFMVMY-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.74
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide

N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 50808168) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
PubChem CID50808168
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(Br)c(C)c2)nc2ccccc21
InChIInChI=1S/C18H16BrN3O2/c1-3-22-15-7-5-4-6-14(15)21-16(18(22)24)17(23)20-12-8-9-13(19)11(2)10-12/h4-10H,3H2,1-2H3,(H,20,23)
InChIKeyLUJUEVTWFFMVMY-UHFFFAOYSA-N
XLogP3.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide 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-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide (CID 50808168) is N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(Br)c(C)c2)nc2ccccc21.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is LUJUEVTWFFMVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-3-22-15-7-5-4-6-14(15)21-16(18(22)24)17(23)20-12-8-9-13(19)11(2)10-12/h4-10H,3H2,1-2H3,(H,20,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide?
N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 50808168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).