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

C22H14Cl2F2N2O — CID 58543012

IUPAC7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2ncc(F)cc2F)c2c(Cl)cccc2Cl)ccc2cccnc12
InChIInChI=1S/C22H14Cl2F2N2O/c23-16-4-1-5-17(24)20(16)15(10-19-18(26)9-13(25)11-28-19)14-7-6-12-3-2-8-27-21(12)22(14)29/h1-9,11,15,29H,10H2
InChIKeyAFCPZKPCGLUBLY-UHFFFAOYSA-N
MW431.27 g/mol
LogP6.30
Rot. Bonds4

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

7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol (PubChem CID 58543012) has the molecular formula C22H14Cl2F2N2O and a molecular weight of 431.27 g/mol. Its IUPAC name is 7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol
PubChem CID58543012
Molecular FormulaC22H14Cl2F2N2O
Molecular Weight431.27 g/mol
Exact Mass430.05
IUPAC Name7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2ncc(F)cc2F)c2c(Cl)cccc2Cl)ccc2cccnc12
InChIInChI=1S/C22H14Cl2F2N2O/c23-16-4-1-5-17(24)20(16)15(10-19-18(26)9-13(25)11-28-19)14-7-6-12-3-2-8-27-21(12)22(14)29/h1-9,11,15,29H,10H2
InChIKeyAFCPZKPCGLUBLY-UHFFFAOYSA-N
XLogP6.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.27
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[1-(2,5-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542737
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(2,6-dichlorophenyl)ethyl]quinolin-8-ol
CID 58542728
7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542923
7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542724
7-[2-(5-chloro-4-ethyl-3-fluoro-2-pyridinyl)-1-(2,3-dichlorophenyl)ethyl]quinolin-8-ol
CID 58542822
7-[2-(5-chloro-3-methyl-2-pyridinyl)-1-(3,5-dichlorophenyl)ethyl]quinolin-8-ol
CID 58542757
7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol
CID 58542851
7-[(2-chloro-6-fluorophenyl)-[(5-chloro-4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543096
7-[(S)-(2-chloro-6-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 40547635
7-[1-(3,5-dichlorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol
CID 58543020
7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542744
7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 1335597

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol?
The IUPAC name of 7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol (CID 58543012) is 7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol?
The canonical SMILES for 7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol is Oc1c(C(Cc2ncc(F)cc2F)c2c(Cl)cccc2Cl)ccc2cccnc12.
What is the InChIKey of 7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol?
The InChIKey is AFCPZKPCGLUBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F2N2O/c23-16-4-1-5-17(24)20(16)15(10-19-18(26)9-13(25)11-28-19)14-7-6-12-3-2-8-27-21(12)22(14)29/h1-9,11,15,29H,10H2.
What are the key properties of 7-[1-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol?
7-[1-(2,6-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-(2,6-dichlorophenyl)-2-(3,5-difluoro-2-pyridinyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58543012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).