8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide

C26H26Cl2N6O6 — CID 87509279

IUPAC8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.NC(=O)c1ncc(CN2CCOCC2)[nH]1
InChIInChI=1S/C17H12Cl2N2O4.C9H14N4O2/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;10-8(14)9-11-5-7(12-9)6-13-1-3-15-4-2-13/h3-7H,1-2H3,(H,22,23);5H,1-4,6H2,(H2,10,14)(H,11,12)
InChIKeyXVZXLMNDYYUEDK-UHFFFAOYSA-N
MW589.44 g/mol
LogP3.66
Rot. Bonds7

About 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide

8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide (PubChem CID 87509279) has the molecular formula C26H26Cl2N6O6 and a molecular weight of 589.44 g/mol. Its IUPAC name is 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide
PubChem CID87509279
Molecular FormulaC26H26Cl2N6O6
Molecular Weight589.44 g/mol
Exact Mass588.13
IUPAC Name8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide
SMILESCOc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.NC(=O)c1ncc(CN2CCOCC2)[nH]1
InChIInChI=1S/C17H12Cl2N2O4.C9H14N4O2/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;10-8(14)9-11-5-7(12-9)6-13-1-3-15-4-2-13/h3-7H,1-2H3,(H,22,23);5H,1-4,6H2,(H2,10,14)(H,11,12)
InChIKeyXVZXLMNDYYUEDK-UHFFFAOYSA-N
XLogP3.66
TPSA165.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.44
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide?
The IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide (CID 87509279) is 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide is COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.NC(=O)c1ncc(CN2CCOCC2)[nH]1.
What is the InChIKey of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide?
The InChIKey is XVZXLMNDYYUEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O4.C9H14N4O2/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;10-8(14)9-11-5-7(12-9)6-13-1-3-15-4-2-13/h3-7H,1-2H3,(H,22,23);5H,1-4,6H2,(H2,10,14)(H,11,12).
What are the key properties of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide?
8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide has a molecular weight of 589.44 g/mol, XLogP of 3.66, 7 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;5-(morpholin-4-ylmethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 87509279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).