8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine

C108H128F6N18O12 — CID 159314355

IUPAC8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine
SMILESC.C.C.C.C.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNC(C)(C)C4)cn3)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)O)c3nccnc23)c1F.COc1ccc(CN2CCN(Cc3ccc(N)nc3)CC2(C)C)cc1.COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5c(F)c(OC)cc(OC)c5F)c5nccnc45)nc3)CC2(C)C)cc1
InChIInChI=1S/C37H38F2N6O4.C29H30F2N6O3.C20H28N4O.C17H12F2N2O4.5CH4/c1-37(2)22-44(16-17-45(37)21-23-6-9-25(47-3)10-7-23)20-24-8-13-30(42-19-24)43-36(46)27-12-11-26(34-35(27)41-15-14-40-34)31-32(38)28(48-4)18-29(49-5)33(31)39;1-29(2)16-37(12-11-35-29)15-17-5-8-22(34-14-17)36-28(38)19-7-6-18(26-27(19)33-10-9-32-26)23-24(30)20(39-3)13-21(40-4)25(23)31;1-20(2)15-23(13-17-6-9-19(21)22-12-17)10-11-24(20)14-16-4-7-18(25-3)8-5-16;1-24-10-7-11(25-2)14(19)12(13(10)18)8-3-4-9(17(22)23)16-15(8)20-5-6-21-16;;;;;/h6-15,18-19H,16-17,20-22H2,1-5H3,(H,42,43,46);5-10,13-14,35H,11-12,15-16H2,1-4H3,(H,34,36,38);4-9,12H,10-11,13-15H2,1-3H3,(H2,21,22);3-7H,1-2H3,(H,22,23);5*1H4
InChIKeyLCYGRLMRFZQWHZ-UHFFFAOYSA-N
MW1984.31 g/mol
LogP20.01
Rot. Bonds26

About 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine

8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine (PubChem CID 159314355) has the molecular formula C108H128F6N18O12 and a molecular weight of 1984.31 g/mol. Its IUPAC name is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine
PubChem CID159314355
Molecular FormulaC108H128F6N18O12
Molecular Weight1984.31 g/mol
Exact Mass1982.99
IUPAC Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine
SMILESC.C.C.C.C.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNC(C)(C)C4)cn3)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)O)c3nccnc23)c1F.COc1ccc(CN2CCN(Cc3ccc(N)nc3)CC2(C)C)cc1.COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5c(F)c(OC)cc(OC)c5F)c5nccnc45)nc3)CC2(C)C)cc1
InChIInChI=1S/C37H38F2N6O4.C29H30F2N6O3.C20H28N4O.C17H12F2N2O4.5CH4/c1-37(2)22-44(16-17-45(37)21-23-6-9-25(47-3)10-7-23)20-24-8-13-30(42-19-24)43-36(46)27-12-11-26(34-35(27)41-15-14-40-34)31-32(38)28(48-4)18-29(49-5)33(31)39;1-29(2)16-37(12-11-35-29)15-17-5-8-22(34-14-17)36-28(38)19-7-6-18(26-27(19)33-10-9-32-26)23-24(30)20(39-3)13-21(40-4)25(23)31;1-20(2)15-23(13-17-6-9-19(21)22-12-17)10-11-24(20)14-16-4-7-18(25-3)8-5-16;1-24-10-7-11(25-2)14(19)12(13(10)18)8-3-4-9(17(22)23)16-15(8)20-5-6-21-16;;;;;/h6-15,18-19H,16-17,20-22H2,1-5H3,(H,42,43,46);5-10,13-14,35H,11-12,15-16H2,1-4H3,(H,34,36,38);4-9,12H,10-11,13-15H2,1-3H3,(H2,21,22);3-7H,1-2H3,(H,22,23);5*1H4
InChIKeyLCYGRLMRFZQWHZ-UHFFFAOYSA-N
XLogP20.01
TPSA339.60 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001984.31
LogP ≤ 520.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
CID 44513200
8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid pyridin-2-ylamide
CID 44517258
8-(2-Fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-methyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
CID 59292869
8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid {5-[(carbamoylmethyl-methyl-amino)-methyl]-pyridin-2-yl}-amide
CID 59292870
8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide
CID 59292905
8-(2-Fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
CID 59292919
8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(3-oxo-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
CID 44513202
8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(3,3,4-trimethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
CID 44514464
8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
CID 44517259
8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid {5-[(dimethylcarbamoylmethyl-methyl-amino)-methyl]-pyridin-2-yl}-amide
CID 59292823
8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [6-(2,2,4-trimethyl-piperazin-1-ylmethyl)-pyridin-3-yl]amide
CID 59292827
8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide
CID 59292829

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine (CID 159314355) is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine is C.C.C.C.C.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNC(C)(C)C4)cn3)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)O)c3nccnc23)c1F.COc1ccc(CN2CCN(Cc3ccc(N)nc3)CC2(C)C)cc1.COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5c(F)c(OC)cc(OC)c5F)c5nccnc45)nc3)CC2(C)C)cc1.
What is the InChIKey of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine?
The InChIKey is LCYGRLMRFZQWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38F2N6O4.C29H30F2N6O3.C20H28N4O.C17H12F2N2O4.5CH4/c1-37(2)22-44(16-17-45(37)21-23-6-9-25(47-3)10-7-23)20-24-8-13-30(42-19-24)43-36(46)27-12-11-26(34-35(27)41-15-14-40-34)31-32(38)28(48-4)18-29(49-5)33(31)39;1-29(2)16-37(12-11-35-29)15-17-5-8-22(34-14-17)36-28(38)19-7-6-18(26-27(19)33-10-9-32-26)23-24(30)20(39-3)13-21(40-4)25(23)31;1-20(2)15-23(13-17-6-9-19(21)22-12-17)10-11-24(20)14-16-4-7-18(25-3)8-5-16;1-24-10-7-11(25-2)14(19)12(13(10)18)8-3-4-9(17(22)23)16-15(8)20-5-6-21-16;;;;;/h6-15,18-19H,16-17,20-22H2,1-5H3,(H,42,43,46);5-10,13-14,35H,11-12,15-16H2,1-4H3,(H,34,36,38);4-9,12H,10-11,13-15H2,1-3H3,(H2,21,22);3-7H,1-2H3,(H,22,23);5*1H4.
What are the key properties of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine?
8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine has a molecular weight of 1984.31 g/mol, XLogP of 20.01, 26 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(3,3-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 159314355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).