5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine

C40H54Br2Cl3N11O8S2 — CID 157072568

IUPAC5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine
SMILESCNCCOC.COCCN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.COCCN(C)S(=O)(=O)Nc1cc(Br)cnc1Cl.Nc1cc(Br)cnc1Cl
InChIInChI=1S/C22H26ClN5O4S.C9H13BrClN3O3S.C5H4BrClN2.C4H11NO/c1-27(7-10-31-2)33(29,30)26-20-14-17(15-25-22(20)23)16-3-4-19-18(13-16)21(5-6-24-19)28-8-11-32-12-9-28;1-14(3-4-17-2)18(15,16)13-8-5-7(10)6-12-9(8)11;6-3-1-4(8)5(7)9-2-3;1-5-3-4-6-2/h3-6,13-15,26H,7-12H2,1-2H3;5-6,13H,3-4H2,1-2H3;1-2H,8H2;5H,3-4H2,1-2H3
InChIKeyACPHEMGPKLITAY-UHFFFAOYSA-N
MW1147.24 g/mol
LogP6.69
Rot. Bonds17

About 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine

5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine (PubChem CID 157072568) has the molecular formula C40H54Br2Cl3N11O8S2 and a molecular weight of 1147.24 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine
PubChem CID157072568
Molecular FormulaC40H54Br2Cl3N11O8S2
Molecular Weight1147.24 g/mol
Exact Mass1143.10
IUPAC Name5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine
SMILESCNCCOC.COCCN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.COCCN(C)S(=O)(=O)Nc1cc(Br)cnc1Cl.Nc1cc(Br)cnc1Cl
InChIInChI=1S/C22H26ClN5O4S.C9H13BrClN3O3S.C5H4BrClN2.C4H11NO/c1-27(7-10-31-2)33(29,30)26-20-14-17(15-25-22(20)23)16-3-4-19-18(13-16)21(5-6-24-19)28-8-11-32-12-9-28;1-14(3-4-17-2)18(15,16)13-8-5-7(10)6-12-9(8)11;6-3-1-4(8)5(7)9-2-3;1-5-3-4-6-2/h3-6,13-15,26H,7-12H2,1-2H3;5-6,13H,3-4H2,1-2H3;1-2H,8H2;5H,3-4H2,1-2H3
InChIKeyACPHEMGPKLITAY-UHFFFAOYSA-N
XLogP6.69
TPSA228.59 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001147.24
LogP ≤ 56.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine 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

N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide
CID 44609076
4-[6-[6-Chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine
CID 58229462
6-[6-Chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-4-[2-methoxyethyl(methyl)amino]quinoline
CID 58229472
4-[6-[6-Chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine
CID 58229491
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide
CID 58229500
8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
CID 67508376
N-[2-chloro-5-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]quinolin-6-yl]-3-pyridinyl]sulfamoyl iodide
CID 90132052
N-[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-1-[[2-chloro-5-[4-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]-methylsulfonylamino]methanesulfonamide
CID 91142312
6-[6-chloro-5-(methylsulfamoylamino)-3-pyridinyl]-N-(2-methoxyethyl)-N-methylquinolin-4-amine
CID 150134294
4-chloro-3-methyl-2,8-dipyridin-2-ylquinoline;3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2,8-dipyridin-2-ylquinolin-4-amine
CID 158040061
5-bromo-2-chloro-N,N-dimethylpyridin-3-amine;2-chloro-N,N-dimethyl-5-(4-morpholin-4-ylquinolin-6-yl)pyridin-3-amine;2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 158704780
5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride
CID 158824521

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine?
The IUPAC name of 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine (CID 157072568) is 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine.
What is the SMILES notation for 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine?
The canonical SMILES for 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine is CNCCOC.COCCN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.COCCN(C)S(=O)(=O)Nc1cc(Br)cnc1Cl.Nc1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine?
The InChIKey is ACPHEMGPKLITAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O4S.C9H13BrClN3O3S.C5H4BrClN2.C4H11NO/c1-27(7-10-31-2)33(29,30)26-20-14-17(15-25-22(20)23)16-3-4-19-18(13-16)21(5-6-24-19)28-8-11-32-12-9-28;1-14(3-4-17-2)18(15,16)13-8-5-7(10)6-12-9(8)11;6-3-1-4(8)5(7)9-2-3;1-5-3-4-6-2/h3-6,13-15,26H,7-12H2,1-2H3;5-6,13H,3-4H2,1-2H3;1-2H,8H2;5H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine?
5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine has a molecular weight of 1147.24 g/mol, XLogP of 6.69, 17 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine;2-methoxy-N-methylethanamine is sourced from PubChem (CID 157072568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).