5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline

C14H15F2N3 — CID 121236908

IUPAC5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline
SMILESCc1cc(N2CCNCC2)c2c(F)ccc(F)c2n1
InChIInChI=1S/C14H15F2N3/c1-9-8-12(19-6-4-17-5-7-19)13-10(15)2-3-11(16)14(13)18-9/h2-3,8,17H,4-7H2,1H3
InChIKeyQGZJAZWGTSDEHH-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.23
Rot. Bonds1

About 5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline

5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline (PubChem CID 121236908) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline
PubChem CID121236908
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline
SMILESCc1cc(N2CCNCC2)c2c(F)ccc(F)c2n1
InChIInChI=1S/C14H15F2N3/c1-9-8-12(19-6-4-17-5-7-19)13-10(15)2-3-11(16)14(13)18-9/h2-3,8,17H,4-7H2,1H3
InChIKeyQGZJAZWGTSDEHH-UHFFFAOYSA-N
XLogP2.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236880
5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236924
2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121235975
6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236949
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
7,8-difluoro-2-methyl-4-pyrrolidin-1-ylquinoline
CID 133499902
4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline
CID 10126494
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
1-(3-bromo-4-fluoro-2-methylphenyl)piperazine
CID 84810017

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline?
The IUPAC name of 5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline (CID 121236908) is 5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline is Cc1cc(N2CCNCC2)c2c(F)ccc(F)c2n1.
What is the InChIKey of 5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline?
The InChIKey is QGZJAZWGTSDEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-9-8-12(19-6-4-17-5-7-19)13-10(15)2-3-11(16)14(13)18-9/h2-3,8,17H,4-7H2,1H3.
What are the key properties of 5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline?
5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline has a molecular weight of 263.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 121236908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).