N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline

C58H54Cl4N8O7 — CID 87513879

About N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline

N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline (PubChem CID 87513879) has the molecular formula C58H54Cl4N8O7 and a molecular weight of 1116.93 g/mol. Its IUPAC name is N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline.

Molecular Properties

• Compound Name: N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline
• PubChem CID: 87513879
• Molecular Formula: C58H54Cl4N8O7
• Molecular Weight: 1116.93 g/mol
• Exact Mass: 1114.29
• IUPAC Name: N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline
• SMILES: CCN1CCN(c2ccc(N)cc2)CC1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nccn3Cc3ccccc3)c3ncccc23)c1Cl.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncccc23)c1Cl
• InChI: InChI=1S/C28H22Cl2N4O3.C18H13Cl2NO4.C12H19N3/c1-36-21-15-22(37-2)25(30)23(24(21)29)18-10-11-20(26-19(18)9-6-12-31-26)27(35)33-28-32-13-14-34(28)16-17-7-4-3-5-8-17;1-24-12-8-13(25-2)16(20)14(15(12)19)9-5-6-11(18(22)23)17-10(9)4-3-7-21-17;1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-15H,16H2,1-2H3,(H,32,33,35);3-8H,1-2H3,(H,22,23);3-6H,2,7-10,13H2,1H3
• InChIKey: AFSOFMYIEBPUAS-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 179.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1116.93
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline?

The IUPAC name of N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline (CID 87513879) is N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline.

What is the SMILES notation for N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline?

The canonical SMILES for N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline is CCN1CCN(c2ccc(N)cc2)CC1.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nccn3Cc3ccccc3)c3ncccc23)c1Cl.COc1cc(OC)c(Cl)c(-c2ccc(C(=O)O)c3ncccc23)c1Cl.

What is the InChIKey of N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline?

The InChIKey is AFSOFMYIEBPUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22Cl2N4O3.C18H13Cl2NO4.C12H19N3/c1-36-21-15-22(37-2)25(30)23(24(21)29)18-10-11-20(26-19(18)9-6-12-31-26)27(35)33-28-32-13-14-34(28)16-17-7-4-3-5-8-17;1-24-12-8-13(25-2)16(20)14(15(12)19)9-5-6-11(18(22)23)17-10(9)4-3-7-21-17;1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-15H,16H2,1-2H3,(H,32,33,35);3-8H,1-2H3,(H,22,23);3-6H,2,7-10,13H2,1H3.

What are the key properties of N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline?

N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline has a molecular weight of 1116.93 g/mol, XLogP of 13.06, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylimidazol-2-yl)-5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxamide;5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;4-(4-ethylpiperazin-1-yl)aniline is sourced from PubChem (CID 87513879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).