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

C102H116F6N18O12 — CID 158051773

IUPAC8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
SMILESC.C.C.C.C.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNCC4)cn3)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)O)c3nccnc23)c1F.COc1ccc(CN2CCN(Cc3ccc(N)nc3)CC2)cc1.COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5c(F)c(OC)cc(OC)c5F)c5nccnc45)nc3)CC2)cc1
InChIInChI=1S/C35H34F2N6O4.C27H26F2N6O3.C18H24N4O.C17H12F2N2O4.5CH4/c1-45-24-7-4-22(5-8-24)20-42-14-16-43(17-15-42)21-23-6-11-29(40-19-23)41-35(44)26-10-9-25(33-34(26)39-13-12-38-33)30-31(36)27(46-2)18-28(47-3)32(30)37;1-37-19-13-20(38-2)24(29)22(23(19)28)17-4-5-18(26-25(17)31-7-8-32-26)27(36)34-21-6-3-16(14-33-21)15-35-11-9-30-10-12-35;1-23-17-5-2-15(3-6-17)13-21-8-10-22(11-9-21)14-16-4-7-18(19)20-12-16;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;;;;;/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,40,41,44);3-8,13-14,30H,9-12,15H2,1-2H3,(H,33,34,36);2-7,12H,8-11,13-14H2,1H3,(H2,19,20);3-7H,1-2H3,(H,22,23);5*1H4
InChIKeyFJOLGUZQINBSNI-UHFFFAOYSA-N
MW1900.15 g/mol
LogP17.67
Rot. Bonds26

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

8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine (PubChem CID 158051773) has the molecular formula C102H116F6N18O12 and a molecular weight of 1900.15 g/mol. Its IUPAC name is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
PubChem CID158051773
Molecular FormulaC102H116F6N18O12
Molecular Weight1900.15 g/mol
Exact Mass1898.89
IUPAC Name8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
SMILESC.C.C.C.C.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNCC4)cn3)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)O)c3nccnc23)c1F.COc1ccc(CN2CCN(Cc3ccc(N)nc3)CC2)cc1.COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5c(F)c(OC)cc(OC)c5F)c5nccnc45)nc3)CC2)cc1
InChIInChI=1S/C35H34F2N6O4.C27H26F2N6O3.C18H24N4O.C17H12F2N2O4.5CH4/c1-45-24-7-4-22(5-8-24)20-42-14-16-43(17-15-42)21-23-6-11-29(40-19-23)41-35(44)26-10-9-25(33-34(26)39-13-12-38-33)30-31(36)27(46-2)18-28(47-3)32(30)37;1-37-19-13-20(38-2)24(29)22(23(19)28)17-4-5-18(26-25(17)31-7-8-32-26)27(36)34-21-6-3-16(14-33-21)15-35-11-9-30-10-12-35;1-23-17-5-2-15(3-6-17)13-21-8-10-22(11-9-21)14-16-4-7-18(19)20-12-16;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;;;;;/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,40,41,44);3-8,13-14,30H,9-12,15H2,1-2H3,(H,33,34,36);2-7,12H,8-11,13-14H2,1H3,(H2,19,20);3-7H,1-2H3,(H,22,23);5*1H4
InChIKeyFJOLGUZQINBSNI-UHFFFAOYSA-N
XLogP17.67
TPSA339.60 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001900.15
LogP ≤ 517.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine (CID 158051773) is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine is C.C.C.C.C.COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCNCC4)cn3)c3nccnc23)c1F.COc1cc(OC)c(F)c(-c2ccc(C(=O)O)c3nccnc23)c1F.COc1ccc(CN2CCN(Cc3ccc(N)nc3)CC2)cc1.COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5c(F)c(OC)cc(OC)c5F)c5nccnc45)nc3)CC2)cc1.
What is the InChIKey of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
The InChIKey is FJOLGUZQINBSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F2N6O4.C27H26F2N6O3.C18H24N4O.C17H12F2N2O4.5CH4/c1-45-24-7-4-22(5-8-24)20-42-14-16-43(17-15-42)21-23-6-11-29(40-19-23)41-35(44)26-10-9-25(33-34(26)39-13-12-38-33)30-31(36)27(46-2)18-28(47-3)32(30)37;1-37-19-13-20(38-2)24(29)22(23(19)28)17-4-5-18(26-25(17)31-7-8-32-26)27(36)34-21-6-3-16(14-33-21)15-35-11-9-30-10-12-35;1-23-17-5-2-15(3-6-17)13-21-8-10-22(11-9-21)14-16-4-7-18(19)20-12-16;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;;;;;/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,40,41,44);3-8,13-14,30H,9-12,15H2,1-2H3,(H,33,34,36);2-7,12H,8-11,13-14H2,1H3,(H2,19,20);3-7H,1-2H3,(H,22,23);5*1H4.
What are the key properties of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine?
8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine has a molecular weight of 1900.15 g/mol, XLogP of 17.67, 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-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;methane;5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 158051773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).