N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide

C120H134Cl8N26O13 — CID 173096093

IUPACN'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide
SMILESCCN1CCN(Cc2cnc3c(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc(C(=O)Nc4cccnc4)c3n2)CC1.CCN1CCN(Cc2cnc3c(C(=O)Nc4ccccn4)ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c3n2)CC1.CCN1CCN(Cc2cnc3c(C(=O)Nc4cccnc4)ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c3n2)CC1.CN(C)CCN(C)Cc1ccc(N)nc1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncc(N(C)CCN(C)C)nc23)c1Cl
InChIInChI=1S/3C29H30Cl2N6O3.C22H24Cl2N4O4.C11H20N4/c1-4-36-10-12-37(13-11-36)17-19-16-33-27-21(29(38)35-18-6-5-9-32-15-18)8-7-20(28(27)34-19)24-25(30)22(39-2)14-23(40-3)26(24)31;1-4-36-10-12-37(13-11-36)17-19-16-33-27-20(24-25(30)22(39-2)14-23(40-3)26(24)31)7-8-21(28(27)34-19)29(38)35-18-6-5-9-32-15-18;1-4-36-11-13-37(14-12-36)17-18-16-33-27-20(29(38)35-23-7-5-6-10-32-23)9-8-19(28(27)34-18)24-25(30)21(39-2)15-22(40-3)26(24)31;1-27(2)8-9-28(3)16-11-25-20-13(22(29)30)7-6-12(21(20)26-16)17-18(23)14(31-4)10-15(32-5)19(17)24;1-14(2)6-7-15(3)9-10-4-5-11(12)13-8-10/h2*5-9,14-16H,4,10-13,17H2,1-3H3,(H,35,38);5-10,15-16H,4,11-14,17H2,1-3H3,(H,32,35,38);6-7,10-11H,8-9H2,1-5H3,(H,29,30);4-5,8H,6-7,9H2,1-3H3,(H2,12,13)
InChIKeyTXLKWTHZNGOJRY-UHFFFAOYSA-N
MW2432.18 g/mol
LogP21.19
Rot. Bonds37

About N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide

N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide (PubChem CID 173096093) has the molecular formula C120H134Cl8N26O13 and a molecular weight of 2432.18 g/mol. Its IUPAC name is N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide
PubChem CID173096093
Molecular FormulaC120H134Cl8N26O13
Molecular Weight2432.18 g/mol
Exact Mass2426.81
IUPAC NameN'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide
SMILESCCN1CCN(Cc2cnc3c(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc(C(=O)Nc4cccnc4)c3n2)CC1.CCN1CCN(Cc2cnc3c(C(=O)Nc4ccccn4)ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c3n2)CC1.CCN1CCN(Cc2cnc3c(C(=O)Nc4cccnc4)ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c3n2)CC1.CN(C)CCN(C)Cc1ccc(N)nc1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncc(N(C)CCN(C)C)nc23)c1Cl
InChIInChI=1S/3C29H30Cl2N6O3.C22H24Cl2N4O4.C11H20N4/c1-4-36-10-12-37(13-11-36)17-19-16-33-27-21(29(38)35-18-6-5-9-32-15-18)8-7-20(28(27)34-19)24-25(30)22(39-2)14-23(40-3)26(24)31;1-4-36-10-12-37(13-11-36)17-19-16-33-27-20(24-25(30)22(39-2)14-23(40-3)26(24)31)7-8-21(28(27)34-19)29(38)35-18-6-5-9-32-15-18;1-4-36-11-13-37(14-12-36)17-18-16-33-27-20(29(38)35-23-7-5-6-10-32-23)9-8-19(28(27)34-18)24-25(30)21(39-2)15-22(40-3)26(24)31;1-27(2)8-9-28(3)16-11-25-20-13(22(29)30)7-6-12(21(20)26-16)17-18(23)14(31-4)10-15(32-5)19(17)24;1-14(2)6-7-15(3)9-10-4-5-11(12)13-8-10/h2*5-9,14-16H,4,10-13,17H2,1-3H3,(H,35,38);5-10,15-16H,4,11-14,17H2,1-3H3,(H,32,35,38);6-7,10-11H,8-9H2,1-5H3,(H,29,30);4-5,8H,6-7,9H2,1-3H3,(H2,12,13)
InChIKeyTXLKWTHZNGOJRY-UHFFFAOYSA-N
XLogP21.19
TPSA411.54 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds37
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002432.18
LogP ≤ 521.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide?
The IUPAC name of N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide (CID 173096093) is N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide.
What is the SMILES notation for N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide?
The canonical SMILES for N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide is CCN1CCN(Cc2cnc3c(-c4c(Cl)c(OC)cc(OC)c4Cl)ccc(C(=O)Nc4cccnc4)c3n2)CC1.CCN1CCN(Cc2cnc3c(C(=O)Nc4ccccn4)ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c3n2)CC1.CCN1CCN(Cc2cnc3c(C(=O)Nc4cccnc4)ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c3n2)CC1.CN(C)CCN(C)Cc1ccc(N)nc1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncc(N(C)CCN(C)C)nc23)c1Cl.
What is the InChIKey of N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide?
The InChIKey is TXLKWTHZNGOJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H30Cl2N6O3.C22H24Cl2N4O4.C11H20N4/c1-4-36-10-12-37(13-11-36)17-19-16-33-27-21(29(38)35-18-6-5-9-32-15-18)8-7-20(28(27)34-19)24-25(30)22(39-2)14-23(40-3)26(24)31;1-4-36-10-12-37(13-11-36)17-19-16-33-27-20(24-25(30)22(39-2)14-23(40-3)26(24)31)7-8-21(28(27)34-19)29(38)35-18-6-5-9-32-15-18;1-4-36-11-13-37(14-12-36)17-18-16-33-27-20(29(38)35-23-7-5-6-10-32-23)9-8-19(28(27)34-18)24-25(30)21(39-2)15-22(40-3)26(24)31;1-27(2)8-9-28(3)16-11-25-20-13(22(29)30)7-6-12(21(20)26-16)17-18(23)14(31-4)10-15(32-5)19(17)24;1-14(2)6-7-15(3)9-10-4-5-11(12)13-8-10/h2*5-9,14-16H,4,10-13,17H2,1-3H3,(H,35,38);5-10,15-16H,4,11-14,17H2,1-3H3,(H,32,35,38);6-7,10-11H,8-9H2,1-5H3,(H,29,30);4-5,8H,6-7,9H2,1-3H3,(H2,12,13).
What are the key properties of N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide?
N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide has a molecular weight of 2432.18 g/mol, XLogP of 21.19, 37 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-amino-3-pyridinyl)methyl]-N,N,N'-trimethylethane-1,2-diamine;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]quinoxaline-5-carboxylic acid;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-2-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-3-[(4-ethylpiperazin-1-yl)methyl]-N-pyridin-3-ylquinoxaline-5-carboxamide is sourced from PubChem (CID 173096093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).