8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline

C19H19ClN4 — CID 146025660

IUPAC8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
SMILESClc1c(CN2CCN(c3ccccn3)CC2)ccc2cccnc12
InChIInChI=1S/C19H19ClN4/c20-18-16(7-6-15-4-3-9-22-19(15)18)14-23-10-12-24(13-11-23)17-5-1-2-8-21-17/h1-9H,10-14H2
InChIKeyWWAFQHYHUBGUOD-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.61
Rot. Bonds3

About 8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline

8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline (PubChem CID 146025660) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
PubChem CID146025660
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
SMILESClc1c(CN2CCN(c3ccccn3)CC2)ccc2cccnc12
InChIInChI=1S/C19H19ClN4/c20-18-16(7-6-15-4-3-9-22-19(15)18)14-23-10-12-24(13-11-23)17-5-1-2-8-21-17/h1-9H,10-14H2
InChIKeyWWAFQHYHUBGUOD-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025679
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol
CID 142099057
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
1-chloro-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]isoquinoline
CID 134017908
4-chloro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
CID 79557493
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline (CID 146025660) is 8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline is Clc1c(CN2CCN(c3ccccn3)CC2)ccc2cccnc12.
What is the InChIKey of 8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
The InChIKey is WWAFQHYHUBGUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c20-18-16(7-6-15-4-3-9-22-19(15)18)14-23-10-12-24(13-11-23)17-5-1-2-8-21-17/h1-9H,10-14H2.
What are the key properties of 8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline has a molecular weight of 338.84 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 146025660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).