N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane

C19H22BrN3O3S — CID 176938228

IUPACN-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane
SMILESCC.CN(c1ccccc1C(=O)N1CC(=O)Nc2cc(Br)ccc21)S(C)=O
InChIInChI=1S/C17H16BrN3O3S.C2H6/c1-20(25(2)24)14-6-4-3-5-12(14)17(23)21-10-16(22)19-13-9-11(18)7-8-15(13)21;1-2/h3-9H,10H2,1-2H3,(H,19,22);1-2H3
InChIKeyYHYZSAPHPULMHQ-UHFFFAOYSA-N
MW452.37 g/mol
LogP3.80
Rot. Bonds3

About N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane

N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane (PubChem CID 176938228) has the molecular formula C19H22BrN3O3S and a molecular weight of 452.37 g/mol. Its IUPAC name is N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane.

Molecular Properties

Compound NameN-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane
PubChem CID176938228
Molecular FormulaC19H22BrN3O3S
Molecular Weight452.37 g/mol
Exact Mass451.06
IUPAC NameN-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane
SMILESCC.CN(c1ccccc1C(=O)N1CC(=O)Nc2cc(Br)ccc21)S(C)=O
InChIInChI=1S/C17H16BrN3O3S.C2H6/c1-20(25(2)24)14-6-4-3-5-12(14)17(23)21-10-16(22)19-13-9-11(18)7-8-15(13)21;1-2/h3-9H,10H2,1-2H3,(H,19,22);1-2H3
InChIKeyYHYZSAPHPULMHQ-UHFFFAOYSA-N
XLogP3.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-bromo-2-sulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107021932
4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 61059136
7-bromo-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 155950678
7-bromo-4-(2-methoxybutanoyl)-1,3-dihydroquinoxalin-2-one
CID 136518452
4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 28822405
7-bromo-4-phenyl-1,3-dihydroquinoxalin-2-one
CID 79290826
4-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9103714
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-amino-5-bromobenzoate
CID 7149179
4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107722296
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-(4-fluoro-2-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 115745127
4-[2-(methylaminomethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 69226926

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane?
The IUPAC name of N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane (CID 176938228) is N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane.
What is the SMILES notation for N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane?
The canonical SMILES for N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane is CC.CN(c1ccccc1C(=O)N1CC(=O)Nc2cc(Br)ccc21)S(C)=O.
What is the InChIKey of N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane?
The InChIKey is YHYZSAPHPULMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3S.C2H6/c1-20(25(2)24)14-6-4-3-5-12(14)17(23)21-10-16(22)19-13-9-11(18)7-8-15(13)21;1-2/h3-9H,10H2,1-2H3,(H,19,22);1-2H3.
What are the key properties of N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane?
N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane has a molecular weight of 452.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromo-3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-N-methylmethanesulfinamide;ethane is sourced from PubChem (CID 176938228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).