4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide

C24H29BrN4 — CID 91938127

IUPAC4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
SMILESBr.c1ccc(-c2cc(N3CCCCC3)c3cc(N4CCCCC4)ccc3n2)nc1
InChIInChI=1S/C24H28N4.BrH/c1-5-13-27(14-6-1)19-10-11-21-20(17-19)24(28-15-7-2-8-16-28)18-23(26-21)22-9-3-4-12-25-22;/h3-4,9-12,17-18H,1-2,5-8,13-16H2;1H
InChIKeyDKZYHOVZDINREN-UHFFFAOYSA-N
MW453.43 g/mol
LogP5.86
Rot. Bonds3

About 4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide

4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide (PubChem CID 91938127) has the molecular formula C24H29BrN4 and a molecular weight of 453.43 g/mol. Its IUPAC name is 4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide.

Molecular Properties

Compound Name4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
PubChem CID91938127
Molecular FormulaC24H29BrN4
Molecular Weight453.43 g/mol
Exact Mass452.16
IUPAC Name4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
SMILESBr.c1ccc(-c2cc(N3CCCCC3)c3cc(N4CCCCC4)ccc3n2)nc1
InChIInChI=1S/C24H28N4.BrH/c1-5-13-27(14-6-1)19-10-11-21-20(17-19)24(28-15-7-2-8-16-28)18-23(26-21)22-9-3-4-12-25-22;/h3-4,9-12,17-18H,1-2,5-8,13-16H2;1H
InChIKeyDKZYHOVZDINREN-UHFFFAOYSA-N
XLogP5.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.43
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide?
The IUPAC name of 4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide (CID 91938127) is 4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide.
What is the SMILES notation for 4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide?
The canonical SMILES for 4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide is Br.c1ccc(-c2cc(N3CCCCC3)c3cc(N4CCCCC4)ccc3n2)nc1.
What is the InChIKey of 4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide?
The InChIKey is DKZYHOVZDINREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4.BrH/c1-5-13-27(14-6-1)19-10-11-21-20(17-19)24(28-15-7-2-8-16-28)18-23(26-21)22-9-3-4-12-25-22;/h3-4,9-12,17-18H,1-2,5-8,13-16H2;1H.
What are the key properties of 4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide?
4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide has a molecular weight of 453.43 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(piperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide is sourced from PubChem (CID 91938127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).