6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

C14H16Cl3N3 — CID 121236949

IUPAC6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)c2cc(Cl)cc(Cl)c2n1.Cl
InChIInChI=1S/C14H15Cl2N3.ClH/c1-9-6-13(19-4-2-17-3-5-19)11-7-10(15)8-12(16)14(11)18-9;/h6-8,17H,2-5H2,1H3;1H
InChIKeyDNXUSBAJOHUUSU-UHFFFAOYSA-N
MW332.66 g/mol
LogP3.68
Rot. Bonds1

About 6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride

6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236949) has the molecular formula C14H16Cl3N3 and a molecular weight of 332.66 g/mol. Its IUPAC name is 6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236949
Molecular FormulaC14H16Cl3N3
Molecular Weight332.66 g/mol
Exact Mass331.04
IUPAC Name6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1cc(N2CCNCC2)c2cc(Cl)cc(Cl)c2n1.Cl
InChIInChI=1S/C14H15Cl2N3.ClH/c1-9-6-13(19-4-2-17-3-5-19)11-7-10(15)8-12(16)14(11)18-9;/h6-8,17H,2-5H2,1H3;1H
InChIKeyDNXUSBAJOHUUSU-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.66
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236924
2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121235975
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
5,8-difluoro-2-methyl-4-piperazin-1-ylquinoline
CID 121236908
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
6,8-dichloro-2-methyl-4-(1,2,4-triazol-1-yl)quinoline
CID 14837827
6-chloro-4,8-dimethyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237026
3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline
CID 121236125
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
6,8-dichloro-2-methylquinoline-4-carbonitrile
CID 82449362
5,7-difluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236880
5-chloro-2-methyl-4-piperazin-1-ylquinoline;2-methylquinoline
CID 158334079

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236949) is 6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1cc(N2CCNCC2)c2cc(Cl)cc(Cl)c2n1.Cl.
What is the InChIKey of 6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is DNXUSBAJOHUUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3.ClH/c1-9-6-13(19-4-2-17-3-5-19)11-7-10(15)8-12(16)14(11)18-9;/h6-8,17H,2-5H2,1H3;1H.
What are the key properties of 6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride?
6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 332.66 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).