5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

C14H16ClF2N3 — CID 121236880

IUPAC5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)c2c(F)cc(F)cc2n1.Cl
InChIInChI=1S/C14H15F2N3.ClH/c1-9-6-13(19-4-2-17-3-5-19)14-11(16)7-10(15)8-12(14)18-9;/h6-8,17H,2-5H2,1H3;1H
InChIKeyHRRKZYIILKGFLA-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.65
Rot. Bonds1

About 5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236880) has the molecular formula C14H16ClF2N3 and a molecular weight of 299.75 g/mol. Its IUPAC name is 5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236880
Molecular FormulaC14H16ClF2N3
Molecular Weight299.75 g/mol
Exact Mass299.10
IUPAC Name5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)c2c(F)cc(F)cc2n1.Cl
InChIInChI=1S/C14H15F2N3.ClH/c1-9-6-13(19-4-2-17-3-5-19)14-11(16)7-10(15)8-12(14)18-9;/h6-8,17H,2-5H2,1H3;1H
InChIKeyHRRKZYIILKGFLA-UHFFFAOYSA-N
XLogP2.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236453
5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline
CID 121236908
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole
CID 82231812
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236924
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121235975
5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline
CID 158334079
6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236949
6-fluoro-3-methyl-2-piperazin-1-ylquinoline
CID 28809528

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236880) is 5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1cc(N2CCNCC2)c2c(F)cc(F)cc2n1.Cl.
What is the InChIKey of 5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is HRRKZYIILKGFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3.ClH/c1-9-6-13(19-4-2-17-3-5-19)14-11(16)7-10(15)8-12(14)18-9;/h6-8,17H,2-5H2,1H3;1H.
What are the key properties of 5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 299.75 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).