3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline

C28H26F2N2O — CID 74372586

IUPAC3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline
SMILESFc1ccc(-c2ccc3ncc(-c4ccc(F)cc4)c(OCCC4CCCCN4)c3c2)cc1
InChIInChI=1S/C28H26F2N2O/c29-22-9-4-19(5-10-22)21-8-13-27-25(17-21)28(33-16-14-24-3-1-2-15-31-24)26(18-32-27)20-6-11-23(30)12-7-20/h4-13,17-18,24,31H,1-3,14-16H2
InChIKeyCSAJDUCJDRZXNU-UHFFFAOYSA-N
MW444.53 g/mol
LogP6.76
Rot. Bonds6

About 3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline

3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline (PubChem CID 74372586) has the molecular formula C28H26F2N2O and a molecular weight of 444.53 g/mol. Its IUPAC name is 3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline.

Molecular Properties

Compound Name3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline
PubChem CID74372586
Molecular FormulaC28H26F2N2O
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline
SMILESFc1ccc(-c2ccc3ncc(-c4ccc(F)cc4)c(OCCC4CCCCN4)c3c2)cc1
InChIInChI=1S/C28H26F2N2O/c29-22-9-4-19(5-10-22)21-8-13-27-25(17-21)28(33-16-14-24-3-1-2-15-31-24)26(18-32-27)20-6-11-23(30)12-7-20/h4-13,17-18,24,31H,1-3,14-16H2
InChIKeyCSAJDUCJDRZXNU-UHFFFAOYSA-N
XLogP6.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline
CID 24951601
phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone
CID 24955158
6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline
CID 24955160
4-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]benzonitrile
CID 24955522
5-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]pyridin-2-amine
CID 75965988
7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline
CID 143661136
7-chloro-6-(2-chloro-4-pyridinyl)-3-(3,5-dimethylphenyl)-4-[2-[(2R)-piperidin-2-yl]ethoxy]quinoline
CID 24951955
[3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol
CID 143661146
7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2S)-piperidin-2-yl]ethoxy]-6-pyridin-3-ylquinoline
CID 24953384
2-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]aniline
CID 89271599
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
(2R)-2-[2-(2-bromo-4-fluorophenoxy)ethyl]piperidine
CID 86321567

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline?
The IUPAC name of 3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline (CID 74372586) is 3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline.
What is the SMILES notation for 3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline?
The canonical SMILES for 3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline is Fc1ccc(-c2ccc3ncc(-c4ccc(F)cc4)c(OCCC4CCCCN4)c3c2)cc1.
What is the InChIKey of 3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline?
The InChIKey is CSAJDUCJDRZXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N2O/c29-22-9-4-19(5-10-22)21-8-13-27-25(17-21)28(33-16-14-24-3-1-2-15-31-24)26(18-32-27)20-6-11-23(30)12-7-20/h4-13,17-18,24,31H,1-3,14-16H2.
What are the key properties of 3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline?
3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline has a molecular weight of 444.53 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline is sourced from PubChem (CID 74372586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).