6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C61H60BBr2ClF3N13O2 — CID 159878661

IUPAC6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESC[C@@H](N)c1cccc(F)c1.C[C@@H](Nc1cnc2cc(-c3cn[nH]c3)ccc2n1)c1cccc(F)c1.C[C@@H](Nc1cnc2cc(Br)ccc2n1)c1cccc(F)c1.Clc1cnc2cc(Br)ccc2n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C19H16FN5.C16H13BrFN3.C10H17BN2O2.C8H4BrClN2.C8H10FN/c1-12(13-3-2-4-16(20)7-13)24-19-11-21-18-8-14(5-6-17(18)25-19)15-9-22-23-10-15;1-10(11-3-2-4-13(18)7-11)20-16-9-19-15-8-12(17)5-6-14(15)21-16;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-5-1-2-6-7(3-5)11-4-8(10)12-6;1-6(10)7-3-2-4-8(9)5-7/h2-12H,1H3,(H,22,23)(H,24,25);2-10H,1H3,(H,20,21);6-7H,1-5H3;1-4H;2-6H,10H2,1H3/t12-;10-;;;6-/m11..1/s1
InChIKeyNTFZNDKALKVILU-USGNGQNASA-N
MW1270.31 g/mol
LogP14.65
Rot. Bonds9

About 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 159878661) has the molecular formula C61H60BBr2ClF3N13O2 and a molecular weight of 1270.31 g/mol. Its IUPAC name is 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID159878661
Molecular FormulaC61H60BBr2ClF3N13O2
Molecular Weight1270.31 g/mol
Exact Mass1267.31
IUPAC Name6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESC[C@@H](N)c1cccc(F)c1.C[C@@H](Nc1cnc2cc(-c3cn[nH]c3)ccc2n1)c1cccc(F)c1.C[C@@H](Nc1cnc2cc(Br)ccc2n1)c1cccc(F)c1.Clc1cnc2cc(Br)ccc2n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C19H16FN5.C16H13BrFN3.C10H17BN2O2.C8H4BrClN2.C8H10FN/c1-12(13-3-2-4-16(20)7-13)24-19-11-21-18-8-14(5-6-17(18)25-19)15-9-22-23-10-15;1-10(11-3-2-4-13(18)7-11)20-16-9-19-15-8-12(17)5-6-14(15)21-16;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-5-1-2-6-7(3-5)11-4-8(10)12-6;1-6(10)7-3-2-4-8(9)5-7/h2-12H,1H3,(H,22,23)(H,24,25);2-10H,1H3,(H,20,21);6-7H,1-5H3;1-4H;2-6H,10H2,1H3/t12-;10-;;;6-/m11..1/s1
InChIKeyNTFZNDKALKVILU-USGNGQNASA-N
XLogP14.65
TPSA192.38 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001270.31
LogP ≤ 514.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole with MolForge

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Related Compounds

6-bromo-2-chloroquinoxaline;6-bromo-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylquinoxalin-2-amine;4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;6-bromo-N-methylquinoxalin-2-amine;tert-butyl 4-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-methylamino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methyl-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;methanamine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 161037644
6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;hydrochloride
CID 90112415
6-bromo-2-chloro-4-methylquinazoline;6-bromo-4-methyl-N-pyridin-3-ylquinazolin-2-amine;4-methyl-6-(1H-pyrazol-4-yl)-N-pyridin-3-ylquinazolin-2-amine;pyridin-3-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
CID 159291031
6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-phenylethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-phenylethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(1R)-1-phenylethanamine;N-[(1R)-1-phenylethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine
CID 160177978
6-bromo-N-[(1R)-1-(3-chlorophenyl)ethyl]quinoxalin-2-amine;6-bromo-2-chloroquinoxaline;tert-butyl 4-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-chlorophenyl)ethanamine;N-[(1R)-1-(3-chlorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 160235943
6-bromo-N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;6-bromo-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]quinoxalin-2-amine;tert-butyl 4-[2-[methyl-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;N-methyl-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 161270144

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 159878661) is 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is C[C@@H](N)c1cccc(F)c1.C[C@@H](Nc1cnc2cc(-c3cn[nH]c3)ccc2n1)c1cccc(F)c1.C[C@@H](Nc1cnc2cc(Br)ccc2n1)c1cccc(F)c1.Clc1cnc2cc(Br)ccc2n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.
What is the InChIKey of 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is NTFZNDKALKVILU-USGNGQNASA-N. The full InChI is InChI=1S/C19H16FN5.C16H13BrFN3.C10H17BN2O2.C8H4BrClN2.C8H10FN/c1-12(13-3-2-4-16(20)7-13)24-19-11-21-18-8-14(5-6-17(18)25-19)15-9-22-23-10-15;1-10(11-3-2-4-13(18)7-11)20-16-9-19-15-8-12(17)5-6-14(15)21-16;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-5-1-2-6-7(3-5)11-4-8(10)12-6;1-6(10)7-3-2-4-8(9)5-7/h2-12H,1H3,(H,22,23)(H,24,25);2-10H,1H3,(H,20,21);6-7H,1-5H3;1-4H;2-6H,10H2,1H3/t12-;10-;;;6-/m11..1/s1.
What are the key properties of 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1270.31 g/mol, XLogP of 14.65, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]quinoxalin-2-amine;(1R)-1-(3-fluorophenyl)ethanamine;N-[(1R)-1-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 159878661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).