8-fluoro-2-methyl-4-piperazin-1-ylquinoline

C14H16FN3 — CID 39732499

IUPAC8-fluoro-2-methyl-4-piperazin-1-ylquinoline
SMILESCc1cc(N2CCNCC2)c2cccc(F)c2n1
InChIInChI=1S/C14H16FN3/c1-10-9-13(18-7-5-16-6-8-18)11-3-2-4-12(15)14(11)17-10/h2-4,9,16H,5-8H2,1H3
InChIKeyGDPUUBORBRJEPM-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.09
Rot. Bonds1

About 8-fluoro-2-methyl-4-piperazin-1-ylquinoline

8-fluoro-2-methyl-4-piperazin-1-ylquinoline (PubChem CID 39732499) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name8-fluoro-2-methyl-4-piperazin-1-ylquinoline
PubChem CID39732499
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name8-fluoro-2-methyl-4-piperazin-1-ylquinoline
SMILESCc1cc(N2CCNCC2)c2cccc(F)c2n1
InChIInChI=1S/C14H16FN3/c1-10-9-13(18-7-5-16-6-8-18)11-3-2-4-12(15)14(11)17-10/h2-4,9,16H,5-8H2,1H3
InChIKeyGDPUUBORBRJEPM-UHFFFAOYSA-N
XLogP2.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-4-piperazin-1-ylquinoline?
The IUPAC name of 8-fluoro-2-methyl-4-piperazin-1-ylquinoline (CID 39732499) is 8-fluoro-2-methyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 8-fluoro-2-methyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 8-fluoro-2-methyl-4-piperazin-1-ylquinoline is Cc1cc(N2CCNCC2)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-4-piperazin-1-ylquinoline?
The InChIKey is GDPUUBORBRJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-9-13(18-7-5-16-6-8-18)11-3-2-4-12(15)14(11)17-10/h2-4,9,16H,5-8H2,1H3.
What are the key properties of 8-fluoro-2-methyl-4-piperazin-1-ylquinoline?
8-fluoro-2-methyl-4-piperazin-1-ylquinoline has a molecular weight of 245.30 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 39732499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).