7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

C23H15Cl2F3N2O — CID 58543180

IUPAC7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2cc(Cl)ccn2)c2ccc(Cl)c(C(F)(F)F)c2)ccc2cccnc12
InChIInChI=1S/C23H15Cl2F3N2O/c24-15-7-9-29-16(11-15)12-18(14-4-6-20(25)19(10-14)23(26,27)28)17-5-3-13-2-1-8-30-21(13)22(17)31/h1-11,18,31H,12H2
InChIKeyLOQBLEFLSQEFDA-UHFFFAOYSA-N
MW463.29 g/mol
LogP7.04
Rot. Bonds4

About 7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol

7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (PubChem CID 58543180) has the molecular formula C23H15Cl2F3N2O and a molecular weight of 463.29 g/mol. Its IUPAC name is 7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
PubChem CID58543180
Molecular FormulaC23H15Cl2F3N2O
Molecular Weight463.29 g/mol
Exact Mass462.05
IUPAC Name7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2cc(Cl)ccn2)c2ccc(Cl)c(C(F)(F)F)c2)ccc2cccnc12
InChIInChI=1S/C23H15Cl2F3N2O/c24-15-7-9-29-16(11-15)12-18(14-4-6-20(25)19(10-14)23(26,27)28)17-5-3-13-2-1-8-30-21(13)22(17)31/h1-11,18,31H,12H2
InChIKeyLOQBLEFLSQEFDA-UHFFFAOYSA-N
XLogP7.04
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.29
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol (CID 58543180) is 7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is Oc1c(C(Cc2cc(Cl)ccn2)c2ccc(Cl)c(C(F)(F)F)c2)ccc2cccnc12.
What is the InChIKey of 7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
The InChIKey is LOQBLEFLSQEFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F3N2O/c24-15-7-9-29-16(11-15)12-18(14-4-6-20(25)19(10-14)23(26,27)28)17-5-3-13-2-1-8-30-21(13)22(17)31/h1-11,18,31H,12H2.
What are the key properties of 7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol?
7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol has a molecular weight of 463.29 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-chloro-2-pyridinyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 58543180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).