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

C18H18ClN5 — CID 146025679

IUPAC8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline
SMILESClc1c(CN2CCN(c3ncccn3)CC2)ccc2cccnc12
InChIInChI=1S/C18H18ClN5/c19-16-15(5-4-14-3-1-6-20-17(14)16)13-23-9-11-24(12-10-23)18-21-7-2-8-22-18/h1-8H,9-13H2
InChIKeyRXJSSPJODGVRSF-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.00
Rot. Bonds3

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

8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline (PubChem CID 146025679) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is 8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline
PubChem CID146025679
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline
SMILESClc1c(CN2CCN(c3ncccn3)CC2)ccc2cccnc12
InChIInChI=1S/C18H18ClN5/c19-16-15(5-4-14-3-1-6-20-17(14)16)13-23-9-11-24(12-10-23)18-21-7-2-8-22-18/h1-8H,9-13H2
InChIKeyRXJSSPJODGVRSF-UHFFFAOYSA-N
XLogP3.00
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025660
7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 176719632
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 166600720
1-chloro-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]isoquinoline
CID 134017908
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 16593308
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 39160418
8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline
CID 56554033
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
5-chloro-2-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
CID 171337721
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline (CID 146025679) is 8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline is Clc1c(CN2CCN(c3ncccn3)CC2)ccc2cccnc12.
What is the InChIKey of 8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline?
The InChIKey is RXJSSPJODGVRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c19-16-15(5-4-14-3-1-6-20-17(14)16)13-23-9-11-24(12-10-23)18-21-7-2-8-22-18/h1-8H,9-13H2.
What are the key properties of 8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline?
8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline has a molecular weight of 339.83 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 146025679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).