7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline

C19H19ClN4 — CID 120755794

IUPAC7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline
SMILESClc1ccc2cccnc2c1CN1CCNCC1c1cccnc1
InChIInChI=1S/C19H19ClN4/c20-17-6-5-14-3-2-8-23-19(14)16(17)13-24-10-9-22-12-18(24)15-4-1-7-21-11-15/h1-8,11,18,22H,9-10,12-13H2
InChIKeyCEJSOQIVZMHXKY-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.43
Rot. Bonds3

About 7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline

7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline (PubChem CID 120755794) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline
PubChem CID120755794
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline
SMILESClc1ccc2cccnc2c1CN1CCNCC1c1cccnc1
InChIInChI=1S/C19H19ClN4/c20-17-6-5-14-3-2-8-23-19(14)16(17)13-24-10-9-22-12-18(24)15-4-1-7-21-11-15/h1-8,11,18,22H,9-10,12-13H2
InChIKeyCEJSOQIVZMHXKY-UHFFFAOYSA-N
XLogP3.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(2-chloro-1-benzofuran-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767778
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine
CID 120767732
1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120846434
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120846431
1-[(2-chloro-5-nitrophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754497

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline (CID 120755794) is 7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline is Clc1ccc2cccnc2c1CN1CCNCC1c1cccnc1.
What is the InChIKey of 7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline?
The InChIKey is CEJSOQIVZMHXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c20-17-6-5-14-3-2-8-23-19(14)16(17)13-24-10-9-22-12-18(24)15-4-1-7-21-11-15/h1-8,11,18,22H,9-10,12-13H2.
What are the key properties of 7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline?
7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline has a molecular weight of 338.84 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-[(2-pyridin-3-ylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 120755794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).