6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline

C35H40FN3O2 — CID 52918170

IUPAC6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline
SMILESFc1ccc2nc(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(OCCN4CCCCC4)cc3)cc2c1
InChIInChI=1S/C35H40FN3O2/c36-30-11-16-34-29(25-30)26-33(27-7-12-31(13-8-27)40-23-21-38-17-3-1-4-18-38)35(37-34)28-9-14-32(15-10-28)41-24-22-39-19-5-2-6-20-39/h7-16,25-26H,1-6,17-24H2
InChIKeyLJXPIZJDACQBAB-UHFFFAOYSA-N
MW553.72 g/mol
LogP7.44
Rot. Bonds10

About 6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline

6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline (PubChem CID 52918170) has the molecular formula C35H40FN3O2 and a molecular weight of 553.72 g/mol. Its IUPAC name is 6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline.

Molecular Properties

Compound Name6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline
PubChem CID52918170
Molecular FormulaC35H40FN3O2
Molecular Weight553.72 g/mol
Exact Mass553.31
IUPAC Name6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline
SMILESFc1ccc2nc(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(OCCN4CCCCC4)cc3)cc2c1
InChIInChI=1S/C35H40FN3O2/c36-30-11-16-34-29(25-30)26-33(27-7-12-31(13-8-27)40-23-21-38-17-3-1-4-18-38)35(37-34)28-9-14-32(15-10-28)41-24-22-39-19-5-2-6-20-39/h7-16,25-26H,1-6,17-24H2
InChIKeyLJXPIZJDACQBAB-UHFFFAOYSA-N
XLogP7.44
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.72
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline?
The IUPAC name of 6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline (CID 52918170) is 6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline.
What is the SMILES notation for 6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline?
The canonical SMILES for 6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline is Fc1ccc2nc(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(OCCN4CCCCC4)cc3)cc2c1.
What is the InChIKey of 6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline?
The InChIKey is LJXPIZJDACQBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40FN3O2/c36-30-11-16-34-29(25-30)26-33(27-7-12-31(13-8-27)40-23-21-38-17-3-1-4-18-38)35(37-34)28-9-14-32(15-10-28)41-24-22-39-19-5-2-6-20-39/h7-16,25-26H,1-6,17-24H2.
What are the key properties of 6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline?
6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline has a molecular weight of 553.72 g/mol, XLogP of 7.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-bis[4-(2-piperidin-1-ylethoxy)phenyl]quinoline is sourced from PubChem (CID 52918170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).