3-ethyl-6-fluoro-2-piperazin-1-ylquinoline

C15H18FN3 — CID 121236550

IUPAC3-ethyl-6-fluoro-2-piperazin-1-ylquinoline
SMILESCCc1cc2cc(F)ccc2nc1N1CCNCC1
InChIInChI=1S/C15H18FN3/c1-2-11-9-12-10-13(16)3-4-14(12)18-15(11)19-7-5-17-6-8-19/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyDXEQZIRSYLCVLX-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.35
Rot. Bonds2

About 3-ethyl-6-fluoro-2-piperazin-1-ylquinoline

3-ethyl-6-fluoro-2-piperazin-1-ylquinoline (PubChem CID 121236550) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-ethyl-6-fluoro-2-piperazin-1-ylquinoline
PubChem CID121236550
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name3-ethyl-6-fluoro-2-piperazin-1-ylquinoline
SMILESCCc1cc2cc(F)ccc2nc1N1CCNCC1
InChIInChI=1S/C15H18FN3/c1-2-11-9-12-10-13(16)3-4-14(12)18-15(11)19-7-5-17-6-8-19/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyDXEQZIRSYLCVLX-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-methyl-2-piperazin-1-ylquinoline
CID 28809528
3-ethyl-7-methoxy-2-piperazin-1-ylquinoline
CID 121236560
3-ethyl-7,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121236555
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine
CID 58484627
3-bromo-6-methyl-2-piperazin-1-ylquinoline
CID 166485336
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride
CID 67380857
1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one
CID 69436836
(6-ethyl-2-piperidin-1-ylquinolin-3-yl)methanamine
CID 20983432
6-fluoro-1-methyl-3-piperazin-1-ylindazole
CID 57288781
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543
1-(3-ethyl-5-fluorophenyl)piperazine
CID 84780261

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-2-piperazin-1-ylquinoline?
The IUPAC name of 3-ethyl-6-fluoro-2-piperazin-1-ylquinoline (CID 121236550) is 3-ethyl-6-fluoro-2-piperazin-1-ylquinoline.
What is the SMILES notation for 3-ethyl-6-fluoro-2-piperazin-1-ylquinoline?
The canonical SMILES for 3-ethyl-6-fluoro-2-piperazin-1-ylquinoline is CCc1cc2cc(F)ccc2nc1N1CCNCC1.
What is the InChIKey of 3-ethyl-6-fluoro-2-piperazin-1-ylquinoline?
The InChIKey is DXEQZIRSYLCVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-11-9-12-10-13(16)3-4-14(12)18-15(11)19-7-5-17-6-8-19/h3-4,9-10,17H,2,5-8H2,1H3.
What are the key properties of 3-ethyl-6-fluoro-2-piperazin-1-ylquinoline?
3-ethyl-6-fluoro-2-piperazin-1-ylquinoline has a molecular weight of 259.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-2-piperazin-1-ylquinoline is sourced from PubChem (CID 121236550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).