5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide

C22H19Cl2N5O4S — CID 143696554

About 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide

5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide (PubChem CID 143696554) has the molecular formula C22H19Cl2N5O4S and a molecular weight of 520.40 g/mol. Its IUPAC name is 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide
• PubChem CID: 143696554
• Molecular Formula: C22H19Cl2N5O4S
• Molecular Weight: 520.40 g/mol
• Exact Mass: 519.05
• IUPAC Name: 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide
• SMILES: COc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3ccc(C(=O)NCCc4cnc[nH]4)nc23)cc1
• InChI: InChI=1S/C22H19Cl2N5O4S/c1-33-14-2-4-15(5-3-14)34(31,32)29-21-18(24)10-17(23)16-6-7-19(28-20(16)21)22(30)26-9-8-13-11-25-12-27-13/h2-7,10-12,29H,8-9H2,1H3,(H,25,27)(H,26,30)
• InChIKey: WQYGVIQQWKPIFS-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.40
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide?

The IUPAC name of 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide (CID 143696554) is 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide.

What is the SMILES notation for 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide?

The canonical SMILES for 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide is COc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3ccc(C(=O)NCCc4cnc[nH]4)nc23)cc1.

What is the InChIKey of 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide?

The InChIKey is WQYGVIQQWKPIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O4S/c1-33-14-2-4-15(5-3-14)34(31,32)29-21-18(24)10-17(23)16-6-7-19(28-20(16)21)22(30)26-9-8-13-11-25-12-27-13/h2-7,10-12,29H,8-9H2,1H3,(H,25,27)(H,26,30).

What are the key properties of 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide?

5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide has a molecular weight of 520.40 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide is sourced from PubChem (CID 143696554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).