7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol

C22H15ClF2N2O — CID 58542851

IUPAC7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2cc(Cl)ccn2)c2ccc(F)cc2F)ccc2cccnc12
InChIInChI=1S/C22H15ClF2N2O/c23-14-7-9-26-16(10-14)12-19(17-6-4-15(24)11-20(17)25)18-5-3-13-2-1-8-27-21(13)22(18)28/h1-11,19,28H,12H2
InChIKeyMLDLJMKMMDTWGE-UHFFFAOYSA-N
MW396.82 g/mol
LogP5.64
Rot. Bonds4

About 7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol

7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol (PubChem CID 58542851) has the molecular formula C22H15ClF2N2O and a molecular weight of 396.82 g/mol. Its IUPAC name is 7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol
PubChem CID58542851
Molecular FormulaC22H15ClF2N2O
Molecular Weight396.82 g/mol
Exact Mass396.08
IUPAC Name7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol
SMILESOc1c(C(Cc2cc(Cl)ccn2)c2ccc(F)cc2F)ccc2cccnc12
InChIInChI=1S/C22H15ClF2N2O/c23-14-7-9-26-16(10-14)12-19(17-6-4-15(24)11-20(17)25)18-5-3-13-2-1-8-27-21(13)22(18)28/h1-11,19,28H,12H2
InChIKeyMLDLJMKMMDTWGE-UHFFFAOYSA-N
XLogP5.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.82
LogP ≤ 55.64
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-(2,4-difluorophenyl)ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol (CID 58542851) is 7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol is Oc1c(C(Cc2cc(Cl)ccn2)c2ccc(F)cc2F)ccc2cccnc12.
What is the InChIKey of 7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol?
The InChIKey is MLDLJMKMMDTWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N2O/c23-14-7-9-26-16(10-14)12-19(17-6-4-15(24)11-20(17)25)18-5-3-13-2-1-8-27-21(13)22(18)28/h1-11,19,28H,12H2.
What are the key properties of 7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol?
7-[2-(4-chloro-2-pyridinyl)-1-(2,4-difluorophenyl)ethyl]quinolin-8-ol has a molecular weight of 396.82 g/mol, XLogP of 5.64, 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-(2,4-difluorophenyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58542851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).