7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol

C26H24Cl2N2O3 — CID 58543054

About 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol

7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol (PubChem CID 58543054) has the molecular formula C26H24Cl2N2O3 and a molecular weight of 483.40 g/mol. Its IUPAC name is 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol
• PubChem CID: 58543054
• Molecular Formula: C26H24Cl2N2O3
• Molecular Weight: 483.40 g/mol
• Exact Mass: 482.12
• IUPAC Name: 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol
• SMILES: COc1c(C)ccc(C(Cc2nc(C)c(Cl)cc2Cl)c2ccc3cccnc3c2O)c1OC
• InChI: InChI=1S/C26H24Cl2N2O3/c1-14-7-9-18(26(33-4)25(14)32-3)19(12-22-21(28)13-20(27)15(2)30-22)17-10-8-16-6-5-11-29-23(16)24(17)31/h5-11,13,19,31H,12H2,1-4H3
• InChIKey: NKXQRRGUPCYPJJ-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 64.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.40
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol?

The IUPAC name of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol (CID 58543054) is 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol.

What is the SMILES notation for 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol?

The canonical SMILES for 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol is COc1c(C)ccc(C(Cc2nc(C)c(Cl)cc2Cl)c2ccc3cccnc3c2O)c1OC.

What is the InChIKey of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol?

The InChIKey is NKXQRRGUPCYPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O3/c1-14-7-9-18(26(33-4)25(14)32-3)19(12-22-21(28)13-20(27)15(2)30-22)17-10-8-16-6-5-11-29-23(16)24(17)31/h5-11,13,19,31H,12H2,1-4H3.

What are the key properties of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol?

7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol has a molecular weight of 483.40 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58543054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).