6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine

C22H22BrCl2N5 — CID 90038565

IUPAC6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
SMILESClc1ccc(Cl)c(CN2CCN(c3nc4cc(Br)ccc4nc3NC3CC3)CC2)c1
InChIInChI=1S/C22H22BrCl2N5/c23-15-1-6-19-20(12-15)28-22(21(27-19)26-17-3-4-17)30-9-7-29(8-10-30)13-14-11-16(24)2-5-18(14)25/h1-2,5-6,11-12,17H,3-4,7-10,13H2,(H,26,27)
InChIKeyISNQXGXYOONJSY-UHFFFAOYSA-N
MW507.26 g/mol
LogP5.60
Rot. Bonds5

About 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine

6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine (PubChem CID 90038565) has the molecular formula C22H22BrCl2N5 and a molecular weight of 507.26 g/mol. Its IUPAC name is 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
PubChem CID90038565
Molecular FormulaC22H22BrCl2N5
Molecular Weight507.26 g/mol
Exact Mass505.04
IUPAC Name6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
SMILESClc1ccc(Cl)c(CN2CCN(c3nc4cc(Br)ccc4nc3NC3CC3)CC2)c1
InChIInChI=1S/C22H22BrCl2N5/c23-15-1-6-19-20(12-15)28-22(21(27-19)26-17-3-4-17)30-9-7-29(8-10-30)13-14-11-16(24)2-5-18(14)25/h1-2,5-6,11-12,17H,3-4,7-10,13H2,(H,26,27)
InChIKeyISNQXGXYOONJSY-UHFFFAOYSA-N
XLogP5.60
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.26
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine 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 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
The IUPAC name of 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine (CID 90038565) is 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine.
What is the SMILES notation for 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
The canonical SMILES for 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine is Clc1ccc(Cl)c(CN2CCN(c3nc4cc(Br)ccc4nc3NC3CC3)CC2)c1.
What is the InChIKey of 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
The InChIKey is ISNQXGXYOONJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrCl2N5/c23-15-1-6-19-20(12-15)28-22(21(27-19)26-17-3-4-17)30-9-7-29(8-10-30)13-14-11-16(24)2-5-18(14)25/h1-2,5-6,11-12,17H,3-4,7-10,13H2,(H,26,27).
What are the key properties of 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine?
6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine has a molecular weight of 507.26 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopropyl-3-[4-[(2,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine is sourced from PubChem (CID 90038565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).