7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol

C24H18Cl3FN2O — CID 58542822

IUPAC7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol
SMILESCCc1c(Cl)cnc(CC(c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1F
InChIInChI=1S/C24H18Cl3FN2O/c1-2-14-19(26)12-30-20(22(14)28)11-17(15-6-3-7-18(25)21(15)27)16-9-8-13-5-4-10-29-23(13)24(16)31/h3-10,12,17,31H,2,11H2,1H3
InChIKeyPLRLFPDEQWDOTK-UHFFFAOYSA-N
MW475.78 g/mol
LogP7.37
Rot. Bonds5

About 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol

7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol (PubChem CID 58542822) has the molecular formula C24H18Cl3FN2O and a molecular weight of 475.78 g/mol. Its IUPAC name is 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol
PubChem CID58542822
Molecular FormulaC24H18Cl3FN2O
Molecular Weight475.78 g/mol
Exact Mass474.05
IUPAC Name7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol
SMILESCCc1c(Cl)cnc(CC(c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1F
InChIInChI=1S/C24H18Cl3FN2O/c1-2-14-19(26)12-30-20(22(14)28)11-17(15-6-3-7-18(25)21(15)27)16-9-8-13-5-4-10-29-23(13)24(16)31/h3-10,12,17,31H,2,11H2,1H3
InChIKeyPLRLFPDEQWDOTK-UHFFFAOYSA-N
XLogP7.37
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.78
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol with MolForge

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Related Compounds

7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58543012
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol
CID 58542728
7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542737
7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542724
7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542923
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol
CID 58542757
7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542744
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-[4-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
CID 58542907
5-chloro-3-fluoro-4-methylpyridin-2-amine;7-[[(5-chloro-3-fluoro-4-methyl-2-pyridinyl)amino]-(2,3-dichlorophenyl)methyl]quinolin-8-ol;2,3-dichlorobenzaldehyde;quinolin-8-ol
CID 157115701
(8-hydroxyquinolin-7-yl)methanediol
CID 145367917
7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,3-dimethoxy-4-methylphenyl)ethyl]quinolin-8-ol
CID 58543054
7-[(2-chloro-6-fluorophenyl)-[(5-chloro-4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543096

Frequently Asked Questions

What is the IUPAC name of 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol (CID 58542822) is 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol is CCc1c(Cl)cnc(CC(c2cccc(Cl)c2Cl)c2ccc3cccnc3c2O)c1F.
What is the InChIKey of 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol?
The InChIKey is PLRLFPDEQWDOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3FN2O/c1-2-14-19(26)12-30-20(22(14)28)11-17(15-6-3-7-18(25)21(15)27)16-9-8-13-5-4-10-29-23(13)24(16)31/h3-10,12,17,31H,2,11H2,1H3.
What are the key properties of 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol?
7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol has a molecular weight of 475.78 g/mol, XLogP of 7.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58542822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).