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

C14H16FN3 — CID 28809528

IUPAC6-fluoro-3-methyl-2-piperazin-1-ylquinoline
SMILESCc1cc2cc(F)ccc2nc1N1CCNCC1
InChIInChI=1S/C14H16FN3/c1-10-8-11-9-12(15)2-3-13(11)17-14(10)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3
InChIKeyHJIHOPWNAGKTSQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.09
Rot. Bonds1

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

6-fluoro-3-methyl-2-piperazin-1-ylquinoline (PubChem CID 28809528) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name6-fluoro-3-methyl-2-piperazin-1-ylquinoline
PubChem CID28809528
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-fluoro-3-methyl-2-piperazin-1-ylquinoline
SMILESCc1cc2cc(F)ccc2nc1N1CCNCC1
InChIInChI=1S/C14H16FN3/c1-10-8-11-9-12(15)2-3-13(11)17-14(10)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3
InChIKeyHJIHOPWNAGKTSQ-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 6-fluoro-3-methyl-2-piperazin-1-ylquinoline?
The IUPAC name of 6-fluoro-3-methyl-2-piperazin-1-ylquinoline (CID 28809528) is 6-fluoro-3-methyl-2-piperazin-1-ylquinoline.
What is the SMILES notation for 6-fluoro-3-methyl-2-piperazin-1-ylquinoline?
The canonical SMILES for 6-fluoro-3-methyl-2-piperazin-1-ylquinoline is Cc1cc2cc(F)ccc2nc1N1CCNCC1.
What is the InChIKey of 6-fluoro-3-methyl-2-piperazin-1-ylquinoline?
The InChIKey is HJIHOPWNAGKTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-8-11-9-12(15)2-3-13(11)17-14(10)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 6-fluoro-3-methyl-2-piperazin-1-ylquinoline?
6-fluoro-3-methyl-2-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 6-fluoro-3-methyl-2-piperazin-1-ylquinoline is sourced from PubChem (CID 28809528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).