8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine

C27H28Cl2N6O4 — CID 87509466

IUPAC8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.Nc1ccc(CN2CCNCC2)nc1
InChIInChI=1S/C17H12Cl2N2O4.C10H16N4/c1-24-10-7-11(25-2)14(19)12(13(10)18)8-3-4-9(17(22)23)16-15(8)20-5-6-21-16;11-9-1-2-10(13-7-9)8-14-5-3-12-4-6-14/h3-7H,1-2H3,(H,22,23);1-2,7,12H,3-6,8,11H2
InChIKeyDNRSRTWDXFIXLU-UHFFFAOYSA-N
MW571.47 g/mol
LogP4.39
Rot. Bonds6

About 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine

8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine (PubChem CID 87509466) has the molecular formula C27H28Cl2N6O4 and a molecular weight of 571.47 g/mol. Its IUPAC name is 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine
PubChem CID87509466
Molecular FormulaC27H28Cl2N6O4
Molecular Weight571.47 g/mol
Exact Mass570.15
IUPAC Name8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.Nc1ccc(CN2CCNCC2)nc1
InChIInChI=1S/C17H12Cl2N2O4.C10H16N4/c1-24-10-7-11(25-2)14(19)12(13(10)18)8-3-4-9(17(22)23)16-15(8)20-5-6-21-16;11-9-1-2-10(13-7-9)8-14-5-3-12-4-6-14/h3-7H,1-2H3,(H,22,23);1-2,7,12H,3-6,8,11H2
InChIKeyDNRSRTWDXFIXLU-UHFFFAOYSA-N
XLogP4.39
TPSA135.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.47
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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)-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
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;1H-pyrazole-5-carboxamide
CID 87509108
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)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine
CID 87509655
8-(2,6-dichloro-3,5-dimethoxyphenyl)-2,3-dimethyl-N-[5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3,5-dimethoxyphenyl)-2,3-dimethyl-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]quinoxaline-5-carboxamide;8-(2,6-dichloro-3-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-5-carboxylic acid;5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]pyridin-2-amine
CID 159851314
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-[(2,2-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
CID 59292913
[8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[(3-oxopiperazin-1-yl)methyl]-2-pyridinyl]carbamate
CID 118322034
8-(2-chloro-5-methoxy-3,6-dimethylphenyl)quinoxaline-5-carboxylic acid
CID 86641143
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-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]carbamate
CID 118322110

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine?
The IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine (CID 87509466) is 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine?
The canonical SMILES for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine is COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.Nc1ccc(CN2CCNCC2)nc1.
What is the InChIKey of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine?
The InChIKey is DNRSRTWDXFIXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O4.C10H16N4/c1-24-10-7-11(25-2)14(19)12(13(10)18)8-3-4-9(17(22)23)16-15(8)20-5-6-21-16;11-9-1-2-10(13-7-9)8-14-5-3-12-4-6-14/h3-7H,1-2H3,(H,22,23);1-2,7,12H,3-6,8,11H2.
What are the key properties of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine?
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine has a molecular weight of 571.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;6-(piperazin-1-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 87509466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).