1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol

C22H22Cl2N2O2 — CID 90669143

IUPAC1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H22Cl2N2O2/c23-14-4-7-17(8-5-14)28-22-13-19(18-11-15(24)6-9-20(18)26-22)21(27)12-16-3-1-2-10-25-16/h4-9,11,13,16,21,25,27H,1-3,10,12H2
InChIKeySMKVAEJSDUSUOF-UHFFFAOYSA-N
MW417.34 g/mol
LogP5.90
Rot. Bonds5

About 1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol

1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669143) has the molecular formula C22H22Cl2N2O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669143
Molecular FormulaC22H22Cl2N2O2
Molecular Weight417.34 g/mol
Exact Mass416.11
IUPAC Name1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H22Cl2N2O2/c23-14-4-7-17(8-5-14)28-22-13-19(18-11-15(24)6-9-20(18)26-22)21(27)12-16-3-1-2-10-25-16/h4-9,11,13,16,21,25,27H,1-3,10,12H2
InChIKeySMKVAEJSDUSUOF-UHFFFAOYSA-N
XLogP5.90
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669143) is 1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol is OC(CC1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2ccc(Cl)cc12.
What is the InChIKey of 1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is SMKVAEJSDUSUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O2/c23-14-4-7-17(8-5-14)28-22-13-19(18-11-15(24)6-9-20(18)26-22)21(27)12-16-3-1-2-10-25-16/h4-9,11,13,16,21,25,27H,1-3,10,12H2.
What are the key properties of 1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 417.34 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).