7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol

C23H17ClF2N2O — CID 58542923

IUPAC7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol
SMILESCc1cc(CC(c2ccc3cccnc3c2O)c2c(F)cccc2Cl)ncc1F
InChIInChI=1S/C23H17ClF2N2O/c1-13-10-15(28-12-20(13)26)11-17(21-18(24)5-2-6-19(21)25)16-8-7-14-4-3-9-27-22(14)23(16)29/h2-10,12,17,29H,11H2,1H3
InChIKeyQBNQDAQOXIIABN-UHFFFAOYSA-N
MW410.85 g/mol
LogP5.95
Rot. Bonds4

About 7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol

7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol (PubChem CID 58542923) has the molecular formula C23H17ClF2N2O and a molecular weight of 410.85 g/mol. Its IUPAC name is 7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol
PubChem CID58542923
Molecular FormulaC23H17ClF2N2O
Molecular Weight410.85 g/mol
Exact Mass410.10
IUPAC Name7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol
SMILESCc1cc(CC(c2ccc3cccnc3c2O)c2c(F)cccc2Cl)ncc1F
InChIInChI=1S/C23H17ClF2N2O/c1-13-10-15(28-12-20(13)26)11-17(21-18(24)5-2-6-19(21)25)16-8-7-14-4-3-9-27-22(14)23(16)29/h2-10,12,17,29H,11H2,1H3
InChIKeyQBNQDAQOXIIABN-UHFFFAOYSA-N
XLogP5.95
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol?
The IUPAC name of 7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol (CID 58542923) is 7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol?
The canonical SMILES for 7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol is Cc1cc(CC(c2ccc3cccnc3c2O)c2c(F)cccc2Cl)ncc1F.
What is the InChIKey of 7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol?
The InChIKey is QBNQDAQOXIIABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N2O/c1-13-10-15(28-12-20(13)26)11-17(21-18(24)5-2-6-19(21)25)16-8-7-14-4-3-9-27-22(14)23(16)29/h2-10,12,17,29H,11H2,1H3.
What are the key properties of 7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol?
7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol has a molecular weight of 410.85 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-chloro-6-fluorophenyl)-2-(5-fluoro-4-methyl-2-pyridinyl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58542923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).