2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline

C18H24ClN3 — CID 170868293

IUPAC2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline
SMILESCCc1cccc2cc(CCCN3CCNCC3)c(Cl)nc12
InChIInChI=1S/C18H24ClN3/c1-2-14-5-3-6-15-13-16(18(19)21-17(14)15)7-4-10-22-11-8-20-9-12-22/h3,5-6,13,20H,2,4,7-12H2,1H3
InChIKeyPDEIGUMXVBHFBA-UHFFFAOYSA-N
MW317.86 g/mol
LogP3.29
Rot. Bonds5

About 2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline

2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline (PubChem CID 170868293) has the molecular formula C18H24ClN3 and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline.

Molecular Properties

Compound Name2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline
PubChem CID170868293
Molecular FormulaC18H24ClN3
Molecular Weight317.86 g/mol
Exact Mass317.17
IUPAC Name2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline
SMILESCCc1cccc2cc(CCCN3CCNCC3)c(Cl)nc12
InChIInChI=1S/C18H24ClN3/c1-2-14-5-3-6-15-13-16(18(19)21-17(14)15)7-4-10-22-11-8-20-9-12-22/h3,5-6,13,20H,2,4,7-12H2,1H3
InChIKeyPDEIGUMXVBHFBA-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868283
2-chloro-8-ethyl-3-propan-2-ylquinoline
CID 63531228
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
3-tert-butyl-2-chloro-8-ethylquinoline
CID 63382109
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
3-(azidomethyl)-2-chloro-8-ethylquinoline
CID 46838842
2-(3-piperazin-1-ylpropyl)quinolin-8-ol
CID 170868281
2,8-dichloro-3-propylquinoline
CID 63531217
3-(3-piperazin-1-ylpropyl)isoquinoline
CID 170868308
1-[3-(4-ethoxy-2-ethylphenyl)propyl]-1,4-diazepane
CID 83941684
1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
CID 83941550
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline?
The IUPAC name of 2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline (CID 170868293) is 2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline.
What is the SMILES notation for 2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline?
The canonical SMILES for 2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline is CCc1cccc2cc(CCCN3CCNCC3)c(Cl)nc12.
What is the InChIKey of 2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline?
The InChIKey is PDEIGUMXVBHFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3/c1-2-14-5-3-6-15-13-16(18(19)21-17(14)15)7-4-10-22-11-8-20-9-12-22/h3,5-6,13,20H,2,4,7-12H2,1H3.
What are the key properties of 2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline?
2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline has a molecular weight of 317.86 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline is sourced from PubChem (CID 170868293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).