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

C22H14Cl4N2O — CID 58542744

IUPAC7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2cc(Cl)c(Cl)cn2)c2ccc(Cl)cc2Cl)ccc2cccnc12
InChIInChI=1S/C22H14Cl4N2O/c23-13-4-6-15(18(24)8-13)17(9-14-10-19(25)20(26)11-28-14)16-5-3-12-2-1-7-27-21(12)22(16)29/h1-8,10-11,17,29H,9H2
InChIKeyGDXXKQLUZHJZSO-UHFFFAOYSA-N
MW464.18 g/mol
LogP7.32
Rot. Bonds4

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

7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol (PubChem CID 58542744) has the molecular formula C22H14Cl4N2O and a molecular weight of 464.18 g/mol. Its IUPAC name is 7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol
PubChem CID58542744
Molecular FormulaC22H14Cl4N2O
Molecular Weight464.18 g/mol
Exact Mass461.99
IUPAC Name7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2cc(Cl)c(Cl)cn2)c2ccc(Cl)cc2Cl)ccc2cccnc12
InChIInChI=1S/C22H14Cl4N2O/c23-13-4-6-15(18(24)8-13)17(9-14-10-19(25)20(26)11-28-14)16-5-3-12-2-1-7-27-21(12)22(16)29/h1-8,10-11,17,29H,9H2
InChIKeyGDXXKQLUZHJZSO-UHFFFAOYSA-N
XLogP7.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.18
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol?
The IUPAC name of 7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol (CID 58542744) is 7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol?
The canonical SMILES for 7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol is Oc1c(C(Cc2cc(Cl)c(Cl)cn2)c2ccc(Cl)cc2Cl)ccc2cccnc12.
What is the InChIKey of 7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol?
The InChIKey is GDXXKQLUZHJZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl4N2O/c23-13-4-6-15(18(24)8-13)17(9-14-10-19(25)20(26)11-28-14)16-5-3-12-2-1-7-27-21(12)22(16)29/h1-8,10-11,17,29H,9H2.
What are the key properties of 7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol?
7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol has a molecular weight of 464.18 g/mol, XLogP of 7.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58542744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).