2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline

C19H26ClN3 — CID 171311279

IUPAC2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline
SMILESCC(C)CC[C@H](c1cc2ccccc2nc1Cl)N1CCNCC1
InChIInChI=1S/C19H26ClN3/c1-14(2)7-8-18(23-11-9-21-10-12-23)16-13-15-5-3-4-6-17(15)22-19(16)20/h3-6,13-14,18,21H,7-12H2,1-2H3/t18-/m1/s1
InChIKeyZWWSQRMXQGCVER-GOSISDBHSA-N
MW331.89 g/mol
LogP4.27
Rot. Bonds5

About 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline

2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline (PubChem CID 171311279) has the molecular formula C19H26ClN3 and a molecular weight of 331.89 g/mol. Its IUPAC name is 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline.

Molecular Properties

Compound Name2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline
PubChem CID171311279
Molecular FormulaC19H26ClN3
Molecular Weight331.89 g/mol
Exact Mass331.18
IUPAC Name2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline
SMILESCC(C)CC[C@H](c1cc2ccccc2nc1Cl)N1CCNCC1
InChIInChI=1S/C19H26ClN3/c1-14(2)7-8-18(23-11-9-21-10-12-23)16-13-15-5-3-4-6-17(15)22-19(16)20/h3-6,13-14,18,21H,7-12H2,1-2H3/t18-/m1/s1
InChIKeyZWWSQRMXQGCVER-GOSISDBHSA-N
XLogP4.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]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-[(1R)-1-piperazin-1-ylhexyl]quinoline
CID 171308399
2-chloro-3-[(1R)-1-piperazin-1-ylpropyl]quinoline;dihydrochloride
CID 171296088
2-chloro-3-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]quinoline;dihydrochloride
CID 171303153
2-chloro-3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]quinoline
CID 171303150
1-[(1S)-4-methyl-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171310434
1-[(1S)-1-(2,6-dichloro-3-pyridinyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310090
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
2-chloro-3-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]quinoline
CID 171296091
1-[(1R)-1-(2,3-dichlorophenyl)-4-methylpentyl]piperazine
CID 171310901
1-[(1S)-1-(2-bromophenyl)-4-methylpentyl]piperazine
CID 171309839
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline?
The IUPAC name of 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline (CID 171311279) is 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline.
What is the SMILES notation for 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline?
The canonical SMILES for 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline is CC(C)CC[C@H](c1cc2ccccc2nc1Cl)N1CCNCC1.
What is the InChIKey of 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline?
The InChIKey is ZWWSQRMXQGCVER-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26ClN3/c1-14(2)7-8-18(23-11-9-21-10-12-23)16-13-15-5-3-4-6-17(15)22-19(16)20/h3-6,13-14,18,21H,7-12H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline?
2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline has a molecular weight of 331.89 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]quinoline is sourced from PubChem (CID 171311279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).