8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid

C44H41Cl4N9O7 — CID 160668998

IUPAC8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid
SMILESCCN1CCN(Cc2cnc(NC(=O)c3ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c4nccnc34)[nH]2)CC1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl
InChIInChI=1S/C27H29Cl2N7O3.C17H12Cl2N2O4/c1-4-35-9-11-36(12-10-35)15-16-14-32-27(33-16)34-26(37)18-6-5-17(24-25(18)31-8-7-30-24)21-22(28)19(38-2)13-20(39-3)23(21)29;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/h5-8,13-14H,4,9-12,15H2,1-3H3,(H2,32,33,34,37);3-7H,1-2H3,(H,22,23)
InChIKeyRMRJABVWDZQYNY-UHFFFAOYSA-N
MW949.68 g/mol
LogP9.05
Rot. Bonds12

About 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid

8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid (PubChem CID 160668998) has the molecular formula C44H41Cl4N9O7 and a molecular weight of 949.68 g/mol. Its IUPAC name is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid
PubChem CID160668998
Molecular FormulaC44H41Cl4N9O7
Molecular Weight949.68 g/mol
Exact Mass947.19
IUPAC Name8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid
SMILESCCN1CCN(Cc2cnc(NC(=O)c3ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c4nccnc34)[nH]2)CC1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl
InChIInChI=1S/C27H29Cl2N7O3.C17H12Cl2N2O4/c1-4-35-9-11-36(12-10-35)15-16-14-32-27(33-16)34-26(37)18-6-5-17(24-25(18)31-8-7-30-24)21-22(28)19(38-2)13-20(39-3)23(21)29;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/h5-8,13-14H,4,9-12,15H2,1-3H3,(H2,32,33,34,37);3-7H,1-2H3,(H,22,23)
InChIKeyRMRJABVWDZQYNY-UHFFFAOYSA-N
XLogP9.05
TPSA190.04 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.68
LogP ≤ 59.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid with MolForge

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Related Compounds

8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 59292965
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(5-formyl-1H-imidazol-2-yl)quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-amine
CID 87513671
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 89284752
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide
CID 87509279
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine
CID 87509655
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine
CID 87509466
8-isoquinolin-4-yl-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 44515976
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(2,2-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
CID 59292913
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
CID 89283710
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide
CID 87509108
N-[5-[(3-cyanocyclobutyl)methyl]-1H-imidazol-2-yl]-8-(2,6-diiodo-3,5-dimethoxyphenyl)quinoxaline-5-carboxamide
CID 89081975
8-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-N-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
CID 59292924

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid?
The IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid (CID 160668998) is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid.
What is the SMILES notation for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid?
The canonical SMILES for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid is CCN1CCN(Cc2cnc(NC(=O)c3ccc(-c4c(Cl)c(OC)cc(OC)c4Cl)c4nccnc34)[nH]2)CC1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.
What is the InChIKey of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid?
The InChIKey is RMRJABVWDZQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N7O3.C17H12Cl2N2O4/c1-4-35-9-11-36(12-10-35)15-16-14-32-27(33-16)34-26(37)18-6-5-17(24-25(18)31-8-7-30-24)21-22(28)19(38-2)13-20(39-3)23(21)29;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/h5-8,13-14H,4,9-12,15H2,1-3H3,(H2,32,33,34,37);3-7H,1-2H3,(H,22,23).
What are the key properties of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid?
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid has a molecular weight of 949.68 g/mol, XLogP of 9.05, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid is sourced from PubChem (CID 160668998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).