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

C27H27ClFN5 — CID 12004166

IUPAC6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline
SMILESFc1cc(N2CCN(N3CCC(c4cc(Cl)cc5cccnc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C27H27ClFN5/c28-22-15-20-3-1-7-30-26(20)24(17-22)19-5-9-33(10-6-19)34-13-11-32(12-14-34)25-18-23(29)16-21-4-2-8-31-27(21)25/h1-4,7-8,15-19H,5-6,9-14H2
InChIKeyUXPDNGLJNFYKHP-UHFFFAOYSA-N
MW476.00 g/mol
LogP5.49
Rot. Bonds3

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

6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline (PubChem CID 12004166) has the molecular formula C27H27ClFN5 and a molecular weight of 476.00 g/mol. Its IUPAC name is 6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline.

Molecular Properties

Compound Name6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline
PubChem CID12004166
Molecular FormulaC27H27ClFN5
Molecular Weight476.00 g/mol
Exact Mass475.19
IUPAC Name6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline
SMILESFc1cc(N2CCN(N3CCC(c4cc(Cl)cc5cccnc45)CC3)CC2)c2ncccc2c1
InChIInChI=1S/C27H27ClFN5/c28-22-15-20-3-1-7-30-26(20)24(17-22)19-5-9-33(10-6-19)34-13-11-32(12-14-34)25-18-23(29)16-21-4-2-8-31-27(21)25/h1-4,7-8,15-19H,5-6,9-14H2
InChIKeyUXPDNGLJNFYKHP-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 6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline?
The IUPAC name of 6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline (CID 12004166) is 6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline.
What is the SMILES notation for 6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline?
The canonical SMILES for 6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline is Fc1cc(N2CCN(N3CCC(c4cc(Cl)cc5cccnc45)CC3)CC2)c2ncccc2c1.
What is the InChIKey of 6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline?
The InChIKey is UXPDNGLJNFYKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFN5/c28-22-15-20-3-1-7-30-26(20)24(17-22)19-5-9-33(10-6-19)34-13-11-32(12-14-34)25-18-23(29)16-21-4-2-8-31-27(21)25/h1-4,7-8,15-19H,5-6,9-14H2.
What are the key properties of 6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline?
6-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 6-chloro-8-[1-[4-(6-fluoroquinolin-8-yl)piperazin-1-yl]piperidin-4-yl]quinoline is sourced from PubChem (CID 12004166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).