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

C21H21Cl2N3O — CID 53320963

IUPAC2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol
SMILESOCCc1c(N2CCNCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C21H21Cl2N3O/c22-14-5-6-19-17(13-14)20(15-3-1-2-4-18(15)23)16(7-12-27)21(25-19)26-10-8-24-9-11-26/h1-6,13,24,27H,7-12H2
InChIKeyBIAVMTXNWZLKTJ-UHFFFAOYSA-N
MW402.33 g/mol
LogP4.15
Rot. Bonds4

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

2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol (PubChem CID 53320963) has the molecular formula C21H21Cl2N3O and a molecular weight of 402.33 g/mol. Its IUPAC name is 2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol
PubChem CID53320963
Molecular FormulaC21H21Cl2N3O
Molecular Weight402.33 g/mol
Exact Mass401.11
IUPAC Name2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol
SMILESOCCc1c(N2CCNCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C21H21Cl2N3O/c22-14-5-6-19-17(13-14)20(15-3-1-2-4-18(15)23)16(7-12-27)21(25-19)26-10-8-24-9-11-26/h1-6,13,24,27H,7-12H2
InChIKeyBIAVMTXNWZLKTJ-UHFFFAOYSA-N
XLogP4.15
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol?
The IUPAC name of 2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol (CID 53320963) is 2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol.
What is the SMILES notation for 2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol?
The canonical SMILES for 2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol is OCCc1c(N2CCNCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl.
What is the InChIKey of 2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol?
The InChIKey is BIAVMTXNWZLKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O/c22-14-5-6-19-17(13-14)20(15-3-1-2-4-18(15)23)16(7-12-27)21(25-19)26-10-8-24-9-11-26/h1-6,13,24,27H,7-12H2.
What are the key properties of 2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol?
2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol has a molecular weight of 402.33 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(2-chlorophenyl)-2-piperazin-1-ylquinolin-3-yl]ethanol is sourced from PubChem (CID 53320963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).