2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol

C22H22Cl2N2O — CID 53320962

IUPAC2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol
SMILESOCCc1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C22H22Cl2N2O/c23-15-8-9-20-18(14-15)21(16-6-2-3-7-19(16)24)17(10-13-27)22(25-20)26-11-4-1-5-12-26/h2-3,6-9,14,27H,1,4-5,10-13H2
InChIKeyDQOUTLIFSOQYGB-UHFFFAOYSA-N
MW401.34 g/mol
LogP5.73
Rot. Bonds4

About 2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol

2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol (PubChem CID 53320962) has the molecular formula C22H22Cl2N2O and a molecular weight of 401.34 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol
PubChem CID53320962
Molecular FormulaC22H22Cl2N2O
Molecular Weight401.34 g/mol
Exact Mass400.11
IUPAC Name2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol
SMILESOCCc1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C22H22Cl2N2O/c23-15-8-9-20-18(14-15)21(16-6-2-3-7-19(16)24)17(10-13-27)22(25-20)26-11-4-1-5-12-26/h2-3,6-9,14,27H,1,4-5,10-13H2
InChIKeyDQOUTLIFSOQYGB-UHFFFAOYSA-N
XLogP5.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.34
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol?
The IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol (CID 53320962) is 2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol.
What is the SMILES notation for 2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol?
The canonical SMILES for 2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol is OCCc1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl.
What is the InChIKey of 2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol?
The InChIKey is DQOUTLIFSOQYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O/c23-15-8-9-20-18(14-15)21(16-6-2-3-7-19(16)24)17(10-13-27)22(25-20)26-11-4-1-5-12-26/h2-3,6-9,14,27H,1,4-5,10-13H2.
What are the key properties of 2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol?
2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol has a molecular weight of 401.34 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(2-chlorophenyl)-2-piperidin-1-ylquinolin-3-yl]ethanol is sourced from PubChem (CID 53320962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).