7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol

C23H17Cl3N2O — CID 58542728

About 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol

7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol (PubChem CID 58542728) has the molecular formula C23H17Cl3N2O and a molecular weight of 443.76 g/mol. Its IUPAC name is 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol
• PubChem CID: 58542728
• Molecular Formula: C23H17Cl3N2O
• Molecular Weight: 443.76 g/mol
• Exact Mass: 442.04
• IUPAC Name: 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol
• SMILES: Cc1cc(Cl)cnc1CC(c1ccc2cccnc2c1O)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C23H17Cl3N2O/c1-13-10-15(24)12-28-20(13)11-17(21-18(25)5-2-6-19(21)26)16-8-7-14-4-3-9-27-22(14)23(16)29/h2-10,12,17,29H,11H2,1H3
• InChIKey: DLSSGMWKHCXFQI-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.76
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol?

The IUPAC name of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol (CID 58542728) is 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol.

What is the SMILES notation for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol?

The canonical SMILES for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol is Cc1cc(Cl)cnc1CC(c1ccc2cccnc2c1O)c1c(Cl)cccc1Cl.

What is the InChIKey of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol?

The InChIKey is DLSSGMWKHCXFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2O/c1-13-10-15(24)12-28-20(13)11-17(21-18(25)5-2-6-19(21)26)16-8-7-14-4-3-9-27-22(14)23(16)29/h2-10,12,17,29H,11H2,1H3.

What are the key properties of 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol?

7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol has a molecular weight of 443.76 g/mol, XLogP of 6.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58542728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).