N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine

C13H9BrClN3S — CID 102834356

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine
SMILESClc1sc(CNc2ccc3nccnc3c2)cc1Br
InChIInChI=1S/C13H9BrClN3S/c14-10-6-9(19-13(10)15)7-18-8-1-2-11-12(5-8)17-4-3-16-11/h1-6,18H,7H2
InChIKeyQEZWHDSCAJECIJ-UHFFFAOYSA-N
MW354.66 g/mol
LogP4.72
Rot. Bonds3

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine (PubChem CID 102834356) has the molecular formula C13H9BrClN3S and a molecular weight of 354.66 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine
PubChem CID102834356
Molecular FormulaC13H9BrClN3S
Molecular Weight354.66 g/mol
Exact Mass352.94
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine
SMILESClc1sc(CNc2ccc3nccnc3c2)cc1Br
InChIInChI=1S/C13H9BrClN3S/c14-10-6-9(19-13(10)15)7-18-8-1-2-11-12(5-8)17-4-3-16-11/h1-6,18H,7H2
InChIKeyQEZWHDSCAJECIJ-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.66
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine 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-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-fluoroaniline
CID 102836173
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]aniline
CID 102829948
6-bromo-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]naphthalen-2-amine
CID 102836645
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-chloro-4-methylaniline
CID 102830042
N-[(3-bromo-4-chlorophenyl)methyl]quinoxalin-6-amine
CID 83230495
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-phenylaniline
CID 102832866
N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine
CID 62084324
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3,5-dichloro-4-fluoroaniline
CID 107572582
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-methylsulfanylaniline
CID 102830221
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]benzamide
CID 102830891
N-[(5-bromofuran-2-yl)methyl]quinoxalin-6-amine
CID 54863499
3,4-dichloro-N-[(4,5-dibromothiophen-2-yl)methyl]aniline
CID 102830389

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine (CID 102834356) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine is Clc1sc(CNc2ccc3nccnc3c2)cc1Br.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine?
The InChIKey is QEZWHDSCAJECIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3S/c14-10-6-9(19-13(10)15)7-18-8-1-2-11-12(5-8)17-4-3-16-11/h1-6,18H,7H2.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine has a molecular weight of 354.66 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]quinoxalin-6-amine is sourced from PubChem (CID 102834356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).