8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine

C25H28Cl2N6O4 — CID 87509655

About 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine

8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine (PubChem CID 87509655) has the molecular formula C25H28Cl2N6O4 and a molecular weight of 547.44 g/mol. Its IUPAC name is 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine.

Molecular Properties

• Compound Name: 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine
• PubChem CID: 87509655
• Molecular Formula: C25H28Cl2N6O4
• Molecular Weight: 547.44 g/mol
• Exact Mass: 546.15
• IUPAC Name: 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine
• SMILES: CCN(CC)Cc1cnc(N)[nH]1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl
• InChI: InChI=1S/C17H12Cl2N2O4.C8H16N4/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;1-3-12(4-2)6-7-5-10-8(9)11-7/h3-7H,1-2H3,(H,22,23);5H,3-4,6H2,1-2H3,(H3,9,10,11)
• InChIKey: JZVYKOBSAUFGOJ-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 139.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.44
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine?

The IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine (CID 87509655) is 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine.

What is the SMILES notation for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine?

The canonical SMILES for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine is CCN(CC)Cc1cnc(N)[nH]1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3nccnc23)c1Cl.

What is the InChIKey of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine?

The InChIKey is JZVYKOBSAUFGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O4.C8H16N4/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;1-3-12(4-2)6-7-5-10-8(9)11-7/h3-7H,1-2H3,(H,22,23);5H,3-4,6H2,1-2H3,(H3,9,10,11).

What are the key properties of 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine?

8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine has a molecular weight of 547.44 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-dichloro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylic acid;5-(diethylaminomethyl)-1H-imidazol-2-amine is sourced from PubChem (CID 87509655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).