tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride

C73H80Cl3F3N18O4 — CID 167584854

IUPACtert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3cc(Cl)cc(F)c3n2)CC1.Cc1cn2nc(-c3cc(F)c4nc(C5CCN(C(=O)OC(C)(C)C)CC5)cnc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)cnc4c3)cc(C)c2n1.Cc1cn2nc(Cl)cc(C)c2n1.Cl
InChIInChI=1S/C26H29FN6O2.C21H21FN6.C18H21ClFN3O2.C8H8ClN3.ClH/c1-15-10-20(31-33-14-16(2)29-24(15)33)18-11-19(27)23-21(12-18)28-13-22(30-23)17-6-8-32(9-7-17)25(34)35-26(3,4)5;1-12-7-17(27-28-11-13(2)25-21(12)28)15-8-16(22)20-18(9-15)24-10-19(26-20)14-3-5-23-6-4-14;1-18(2,3)25-17(24)23-6-4-11(5-7-23)15-10-21-14-9-12(19)8-13(20)16(14)22-15;1-5-3-7(9)11-12-4-6(2)10-8(5)12;/h10-14,17H,6-9H2,1-5H3;7-11,14,23H,3-6H2,1-2H3;8-11H,4-7H2,1-3H3;3-4H,1-2H3;1H
InChIKeyALPDLFPMWCWTLR-UHFFFAOYSA-N
MW1436.92 g/mol
LogP15.73
Rot. Bonds5

About tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride

tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride (PubChem CID 167584854) has the molecular formula C73H80Cl3F3N18O4 and a molecular weight of 1436.92 g/mol. Its IUPAC name is tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride
PubChem CID167584854
Molecular FormulaC73H80Cl3F3N18O4
Molecular Weight1436.92 g/mol
Exact Mass1434.56
IUPAC Nametert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3cc(Cl)cc(F)c3n2)CC1.Cc1cn2nc(-c3cc(F)c4nc(C5CCN(C(=O)OC(C)(C)C)CC5)cnc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)cnc4c3)cc(C)c2n1.Cc1cn2nc(Cl)cc(C)c2n1.Cl
InChIInChI=1S/C26H29FN6O2.C21H21FN6.C18H21ClFN3O2.C8H8ClN3.ClH/c1-15-10-20(31-33-14-16(2)29-24(15)33)18-11-19(27)23-21(12-18)28-13-22(30-23)17-6-8-32(9-7-17)25(34)35-26(3,4)5;1-12-7-17(27-28-11-13(2)25-21(12)28)15-8-16(22)20-18(9-15)24-10-19(26-20)14-3-5-23-6-4-14;1-18(2,3)25-17(24)23-6-4-11(5-7-23)15-10-21-14-9-12(19)8-13(20)16(14)22-15;1-5-3-7(9)11-12-4-6(2)10-8(5)12;/h10-14,17H,6-9H2,1-5H3;7-11,14,23H,3-6H2,1-2H3;8-11H,4-7H2,1-3H3;3-4H,1-2H3;1H
InChIKeyALPDLFPMWCWTLR-UHFFFAOYSA-N
XLogP15.73
TPSA239.02 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds5
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001436.92
LogP ≤ 515.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride with MolForge

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Related Compounds

tert-butyl N-[(1R,2S,3S,5S)-8-[3-[5-chloro-3-(dimethylamino)quinoxalin-6-yl]-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 155673161
tert-butyl piperazine-1-carboxylate;3-chloro-6-imidazol-1-ylpyridazine;3,3-dichloro-1,1,1-trifluoropropan-2-one;3-imidazol-1-yl-6-piperazin-1-ylpyridazine;4-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-propan-2-ylaniline
CID 157596443
tert-butyl piperazine-1-carboxylate;3-chloro-6-imidazol-1-ylpyridazine;3-imidazol-1-yl-6-piperazin-1-ylpyridazine;4-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-propan-2-ylaniline;1,1,1-trifluoropropan-2-one
CID 161770565
tert-butyl 4-[[(1S)-1-[4-(4-chloro-2,3,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-yl)phenyl]-2,2,2-trifluoroethyl]-methylcarbamoyl]piperidine-1-carboxylate;N-[(1S)-1-[4-(4-chloro-2,3,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-yl)phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide
CID 175748094
tert-butyl N-[(1R,2S,3S,5S)-8-[3-(5-chloro-3-methylquinoxalin-6-yl)-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 160988382
tert-butyl N-[1-[3-[(7-fluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline
CID 87523891
Tert-butyl 4-(3-chloroquinoxalin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(7-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;tert-butyl 4-(8-methyltetrazolo[1,5-a]quinoxalin-4-yl)piperazine-1-carboxylate;ethane;8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
CID 123357799
Tert-butyl 4-(6,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazine-1-carboxylate;6,8-dimethyl-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 123497870
Tert-butyl 4-[3-(aminomethyl)-7-chloro-5-fluoroquinoxalin-2-yl]piperazine-1-carboxylate;[4-(7-chloro-9-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperazin-1-yl]-methylborinic acid
CID 123768057
Acetaldehyde;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-fluoro-1,2,4-benzotriazine;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;dihydrochloride
CID 157218258
tert-butyl 7-[3-[3-(dimethylcarbamoylamino)phenyl]imidazo[1,2-b]pyridazin-7-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;3-[3-(7-chloroimidazo[1,2-b]pyridazin-3-yl)phenyl]-1,1-dimethylurea;1,1-dimethyl-3-[3-[7-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]urea;1,1-dimethyl-3-[3-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]urea;ethane
CID 157291982
Tert-butyl 4-(10-fluoro-9-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;5-chloro-10-fluoro-9-methyl-[1,2,4]triazolo[1,5-c]quinazoline;dichloromethane;10-fluoro-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 157734848

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride?
The IUPAC name of tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride (CID 167584854) is tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride.
What is the SMILES notation for tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride?
The canonical SMILES for tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride is CC(C)(C)OC(=O)N1CCC(c2cnc3cc(Cl)cc(F)c3n2)CC1.Cc1cn2nc(-c3cc(F)c4nc(C5CCN(C(=O)OC(C)(C)C)CC5)cnc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)cnc4c3)cc(C)c2n1.Cc1cn2nc(Cl)cc(C)c2n1.Cl.
What is the InChIKey of tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride?
The InChIKey is ALPDLFPMWCWTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2.C21H21FN6.C18H21ClFN3O2.C8H8ClN3.ClH/c1-15-10-20(31-33-14-16(2)29-24(15)33)18-11-19(27)23-21(12-18)28-13-22(30-23)17-6-8-32(9-7-17)25(34)35-26(3,4)5;1-12-7-17(27-28-11-13(2)25-21(12)28)15-8-16(22)20-18(9-15)24-10-19(26-20)14-3-5-23-6-4-14;1-18(2,3)25-17(24)23-6-4-11(5-7-23)15-10-21-14-9-12(19)8-13(20)16(14)22-15;1-5-3-7(9)11-12-4-6(2)10-8(5)12;/h10-14,17H,6-9H2,1-5H3;7-11,14,23H,3-6H2,1-2H3;8-11H,4-7H2,1-3H3;3-4H,1-2H3;1H.
What are the key properties of tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride?
tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride has a molecular weight of 1436.92 g/mol, XLogP of 15.73, 5 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-chloro-8-fluoroquinoxalin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxalin-2-yl]piperidine-1-carboxylate;6-chloro-2,8-dimethylimidazo[1,2-b]pyridazine;6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoro-2-piperidin-4-ylquinoxaline;hydrochloride is sourced from PubChem (CID 167584854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).