1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol

C22H21Cl3N2O2 — CID 90669141

IUPAC1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C22H21Cl3N2O2/c23-13-4-6-16(7-5-13)29-21-12-17(20(28)11-15-3-1-2-8-26-15)18-9-14(24)10-19(25)22(18)27-21/h4-7,9-10,12,15,20,26,28H,1-3,8,11H2
InChIKeyOMXJNDBXQGACGE-UHFFFAOYSA-N
MW451.78 g/mol
LogP6.55
Rot. Bonds5

About 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol

1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669141) has the molecular formula C22H21Cl3N2O2 and a molecular weight of 451.78 g/mol. Its IUPAC name is 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669141
Molecular FormulaC22H21Cl3N2O2
Molecular Weight451.78 g/mol
Exact Mass450.07
IUPAC Name1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol
SMILESOC(CC1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C22H21Cl3N2O2/c23-13-4-6-16(7-5-13)29-21-12-17(20(28)11-15-3-1-2-8-26-15)18-9-14(24)10-19(25)22(18)27-21/h4-7,9-10,12,15,20,26,28H,1-3,8,11H2
InChIKeyOMXJNDBXQGACGE-UHFFFAOYSA-N
XLogP6.55
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.78
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol with MolForge

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Related Compounds

2-piperidin-2-yl-1-(2,3,6-trichlorophenanthren-9-yl)ethanol
CID 90668908
1-(1,3-dichlorophenanthren-9-yl)-2-piperidin-2-ylethanol
CID 90668901
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649
2-(azepan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 82780210
2-piperidin-2-yl-1-(2-propan-2-ylquinolin-4-yl)ethanol
CID 90669677
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
1-[6,7-dichloro-2,4-bis(trifluoromethyl)phenanthren-9-yl]-2-piperidin-2-ylethanol
CID 90668830
1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol
CID 79560663
1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
CID 79559655
[2-(1-adamantyl)-6,8-dichloroquinolin-4-yl]-piperidin-2-ylmethanol;hydrochloride
CID 54607543
1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466022
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632

Frequently Asked Questions

What is the IUPAC name of 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669141) is 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol is OC(CC1CCCCN1)c1cc(Oc2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is OMXJNDBXQGACGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl3N2O2/c23-13-4-6-16(7-5-13)29-21-12-17(20(28)11-15-3-1-2-8-26-15)18-9-14(24)10-19(25)22(18)27-21/h4-7,9-10,12,15,20,26,28H,1-3,8,11H2.
What are the key properties of 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol?
1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 451.78 g/mol, XLogP of 6.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,8-dichloro-2-(4-chlorophenoxy)quinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).