5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline

C27H27ClFN5 — CID 69261222

IUPAC5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline
SMILESFc1cc(N2CCN(N3CCC(c4ccc(Cl)c5cccnc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C27H27ClFN5/c28-24-6-5-22(27-23(24)4-2-10-31-27)19-7-11-33(12-8-19)34-15-13-32(14-16-34)25-18-21(29)17-20-3-1-9-30-26(20)25/h1-6,9-10,17-19H,7-8,11-16H2
InChIKeyYKHOZGYRLLJYMC-UHFFFAOYSA-N
MW476.00 g/mol
LogP5.49
Rot. Bonds3

About 5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline

5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline (PubChem CID 69261222) has the molecular formula C27H27ClFN5 and a molecular weight of 476.00 g/mol. Its IUPAC name is 5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline.

Molecular Properties

Compound Name5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline
PubChem CID69261222
Molecular FormulaC27H27ClFN5
Molecular Weight476.00 g/mol
Exact Mass475.19
IUPAC Name5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline
SMILESFc1cc(N2CCN(N3CCC(c4ccc(Cl)c5cccnc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C27H27ClFN5/c28-24-6-5-22(27-23(24)4-2-10-31-27)19-7-11-33(12-8-19)34-15-13-32(14-16-34)25-18-21(29)17-20-3-1-9-30-26(20)25/h1-6,9-10,17-19H,7-8,11-16H2
InChIKeyYKHOZGYRLLJYMC-UHFFFAOYSA-N
XLogP5.49
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.00
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline?
The IUPAC name of 5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline (CID 69261222) is 5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline.
What is the SMILES notation for 5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline?
The canonical SMILES for 5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline is Fc1cc(N2CCN(N3CCC(c4ccc(Cl)c5cccnc45)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline?
The InChIKey is YKHOZGYRLLJYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFN5/c28-24-6-5-22(27-23(24)4-2-10-31-27)19-7-11-33(12-8-19)34-15-13-32(14-16-34)25-18-21(29)17-20-3-1-9-30-26(20)25/h1-6,9-10,17-19H,7-8,11-16H2.
What are the key properties of 5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline?
5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline has a molecular weight of 476.00 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline is sourced from PubChem (CID 69261222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).