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

C22H14Cl2F2N2O — CID 58542737

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

7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol (PubChem CID 58542737) has the molecular formula C22H14Cl2F2N2O and a molecular weight of 431.27 g/mol. Its IUPAC name is 7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol
• PubChem CID: 58542737
• Molecular Formula: C22H14Cl2F2N2O
• Molecular Weight: 431.27 g/mol
• Exact Mass: 430.05
• IUPAC Name: 7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol
• SMILES: Oc1c(C(Cc2ncc(F)cc2F)c2cc(Cl)ccc2Cl)ccc2cccnc12
• InChI: InChI=1S/C22H14Cl2F2N2O/c23-13-4-6-18(24)17(8-13)16(10-20-19(26)9-14(25)11-28-20)15-5-3-12-2-1-7-27-21(12)22(15)29/h1-9,11,16,29H,10H2
• InChIKey: HDFLFDABGOSQDT-UHFFFAOYSA-N
• XLogP: 6.30
• 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	431.27
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol (CID 58542737) is 7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol.

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

The canonical SMILES for 7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol is Oc1c(C(Cc2ncc(F)cc2F)c2cc(Cl)ccc2Cl)ccc2cccnc12.

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

The InChIKey is HDFLFDABGOSQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F2N2O/c23-13-4-6-18(24)17(8-13)16(10-20-19(26)9-14(25)11-28-20)15-5-3-12-2-1-7-27-21(12)22(15)29/h1-9,11,16,29H,10H2.

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

7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol has a molecular weight of 431.27 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58542737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).