2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline

C19H19ClN4 — CID 9346935

IUPAC2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
SMILESClc1nc2ccccc2cc1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H19ClN4/c20-19-16(13-15-5-1-2-6-17(15)22-19)14-23-9-11-24(12-10-23)18-7-3-4-8-21-18/h1-8,13H,9-12,14H2
InChIKeyQFEJMLJDOOOLHY-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.61
Rot. Bonds3

About 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline

2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline (PubChem CID 9346935) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
PubChem CID9346935
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
SMILESClc1nc2ccccc2cc1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H19ClN4/c20-19-16(13-15-5-1-2-6-17(15)22-19)14-23-9-11-24(12-10-23)18-7-3-4-8-21-18/h1-8,13H,9-12,14H2
InChIKeyQFEJMLJDOOOLHY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025660
2,3-dichloro-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenol
CID 142099057
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
4-chloro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]aniline
CID 79557493
1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667
4-[(2-chloroquinolin-3-yl)methyl]-1-methylpiperazin-2-one
CID 64679888
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
CID 764826
1-[4-[(2-chloroquinolin-3-yl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140011
2-chloro-3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]methyl]quinoline
CID 8719857
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline
CID 63479216

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline (CID 9346935) is 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline is Clc1nc2ccccc2cc1CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
The InChIKey is QFEJMLJDOOOLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c20-19-16(13-15-5-1-2-6-17(15)22-19)14-23-9-11-24(12-10-23)18-7-3-4-8-21-18/h1-8,13H,9-12,14H2.
What are the key properties of 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline?
2-chloro-3-[(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 2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 9346935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).