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

C97H96Cl6N18O9 — CID 157298855

IUPAC8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine
SMILESCOc1cc(C)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(Cc5ccc(C)cc5)CC4)nc3)c3nccnc23)c1Cl.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCNCC4)nc3)c3nccnc23)c1Cl.Cc1ccc(CN2CCN(Cc3ccc(N)cn3)CC2)cc1
InChIInChI=1S/C35H34Cl2N6O3.C27H26Cl2N6O3.C18H24N4.C17H12Cl2N2O3/c1-22-4-6-23(7-5-22)20-42-14-16-43(17-15-42)21-25-9-8-24(19-40-25)41-35(44)27-11-10-26(33-34(27)39-13-12-38-33)30-31(36)28(45-2)18-29(46-3)32(30)37;1-37-20-13-21(38-2)24(29)22(23(20)28)18-5-6-19(26-25(18)31-7-8-32-26)27(36)34-16-3-4-17(33-14-16)15-35-11-9-30-10-12-35;1-15-2-4-16(5-3-15)13-21-8-10-22(11-9-21)14-18-7-6-17(19)12-20-18;1-8-7-11(24-2)14(19)12(13(8)18)9-3-4-10(17(22)23)16-15(9)20-5-6-21-16/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,41,44);3-8,13-14,30H,9-12,15H2,1-2H3,(H,34,36);2-7,12H,8-11,13-14,19H2,1H3;3-7H,1-2H3,(H,22,23)
InChIKeyBBQSKXREMAIDCV-UHFFFAOYSA-N
MW1870.67 g/mol
LogP18.48
Rot. Bonds23

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

8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine (PubChem CID 157298855) has the molecular formula C97H96Cl6N18O9 and a molecular weight of 1870.67 g/mol. Its IUPAC name is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine
PubChem CID157298855
Molecular FormulaC97H96Cl6N18O9
Molecular Weight1870.67 g/mol
Exact Mass1866.57
IUPAC Name8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine
SMILESCOc1cc(C)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(Cc5ccc(C)cc5)CC4)nc3)c3nccnc23)c1Cl.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCNCC4)nc3)c3nccnc23)c1Cl.Cc1ccc(CN2CCN(Cc3ccc(N)cn3)CC2)cc1
InChIInChI=1S/C35H34Cl2N6O3.C27H26Cl2N6O3.C18H24N4.C17H12Cl2N2O3/c1-22-4-6-23(7-5-22)20-42-14-16-43(17-15-42)21-25-9-8-24(19-40-25)41-35(44)27-11-10-26(33-34(27)39-13-12-38-33)30-31(36)28(45-2)18-29(46-3)32(30)37;1-37-20-13-21(38-2)24(29)22(23(20)28)18-5-6-19(26-25(18)31-7-8-32-26)27(36)34-16-3-4-17(33-14-16)15-35-11-9-30-10-12-35;1-15-2-4-16(5-3-15)13-21-8-10-22(11-9-21)14-18-7-6-17(19)12-20-18;1-8-7-11(24-2)14(19)12(13(8)18)9-3-4-10(17(22)23)16-15(9)20-5-6-21-16/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,41,44);3-8,13-14,30H,9-12,15H2,1-2H3,(H,34,36);2-7,12H,8-11,13-14,19H2,1H3;3-7H,1-2H3,(H,22,23)
InChIKeyBBQSKXREMAIDCV-UHFFFAOYSA-N
XLogP18.48
TPSA311.91 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.67
LogP ≤ 518.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine?
The IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine (CID 157298855) is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine?
The canonical SMILES for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine is COc1cc(C)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(Cc5ccc(C)cc5)CC4)nc3)c3nccnc23)c1Cl.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCNCC4)nc3)c3nccnc23)c1Cl.Cc1ccc(CN2CCN(Cc3ccc(N)cn3)CC2)cc1.
What is the InChIKey of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine?
The InChIKey is BBQSKXREMAIDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34Cl2N6O3.C27H26Cl2N6O3.C18H24N4.C17H12Cl2N2O3/c1-22-4-6-23(7-5-22)20-42-14-16-43(17-15-42)21-25-9-8-24(19-40-25)41-35(44)27-11-10-26(33-34(27)39-13-12-38-33)30-31(36)28(45-2)18-29(46-3)32(30)37;1-37-20-13-21(38-2)24(29)22(23(20)28)18-5-6-19(26-25(18)31-7-8-32-26)27(36)34-16-3-4-17(33-14-16)15-35-11-9-30-10-12-35;1-15-2-4-16(5-3-15)13-21-8-10-22(11-9-21)14-18-7-6-17(19)12-20-18;1-8-7-11(24-2)14(19)12(13(8)18)9-3-4-10(17(22)23)16-15(9)20-5-6-21-16/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,41,44);3-8,13-14,30H,9-12,15H2,1-2H3,(H,34,36);2-7,12H,8-11,13-14,19H2,1H3;3-7H,1-2H3,(H,22,23).
What are the key properties of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine?
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine has a molecular weight of 1870.67 g/mol, XLogP of 18.48, 23 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[6-(piperazin-1-ylmethyl)-3-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)quinoxaline-5-carboxylic acid;6-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 157298855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).