8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline

C21H21ClFN3 — CID 56906177

IUPAC8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline
SMILESFc1cccc(CN2CCN(Cc3ccc4cccc(Cl)c4n3)CC2)c1
InChIInChI=1S/C21H21ClFN3/c22-20-6-2-4-17-7-8-19(24-21(17)20)15-26-11-9-25(10-12-26)14-16-3-1-5-18(23)13-16/h1-8,13H,9-12,14-15H2
InChIKeyQIKLCJNADAVVSL-UHFFFAOYSA-N
MW369.87 g/mol
LogP4.35
Rot. Bonds4

About 8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline

8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline (PubChem CID 56906177) has the molecular formula C21H21ClFN3 and a molecular weight of 369.87 g/mol. Its IUPAC name is 8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline
PubChem CID56906177
Molecular FormulaC21H21ClFN3
Molecular Weight369.87 g/mol
Exact Mass369.14
IUPAC Name8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline
SMILESFc1cccc(CN2CCN(Cc3ccc4cccc(Cl)c4n3)CC2)c1
InChIInChI=1S/C21H21ClFN3/c22-20-6-2-4-17-7-8-19(24-21(17)20)15-26-11-9-25(10-12-26)14-16-3-1-5-18(23)13-16/h1-8,13H,9-12,14-15H2
InChIKeyQIKLCJNADAVVSL-UHFFFAOYSA-N
XLogP4.35
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline?
The IUPAC name of 8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline (CID 56906177) is 8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline is Fc1cccc(CN2CCN(Cc3ccc4cccc(Cl)c4n3)CC2)c1.
What is the InChIKey of 8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline?
The InChIKey is QIKLCJNADAVVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3/c22-20-6-2-4-17-7-8-19(24-21(17)20)15-26-11-9-25(10-12-26)14-16-3-1-5-18(23)13-16/h1-8,13H,9-12,14-15H2.
What are the key properties of 8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline?
8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline has a molecular weight of 369.87 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 56906177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).