3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline

C15H18BrN3 — CID 121236184

IUPAC3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline
SMILESCc1ccc2nc(C)c(Br)c(N3CCNCC3)c2c1
InChIInChI=1S/C15H18BrN3/c1-10-3-4-13-12(9-10)15(14(16)11(2)18-13)19-7-5-17-6-8-19/h3-4,9,17H,5-8H2,1-2H3
InChIKeyDVBKVTSNZJJOSY-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.02
Rot. Bonds1

About 3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline

3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline (PubChem CID 121236184) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline
PubChem CID121236184
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline
SMILESCc1ccc2nc(C)c(Br)c(N3CCNCC3)c2c1
InChIInChI=1S/C15H18BrN3/c1-10-3-4-13-12(9-10)15(14(16)11(2)18-13)19-7-5-17-6-8-19/h3-4,9,17H,5-8H2,1-2H3
InChIKeyDVBKVTSNZJJOSY-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-ethyl-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236321
3-bromo-6-methyl-4-piperazin-1-ylquinoline
CID 121236335
3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236154
3,7-dibromo-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236134
3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236366
3-chloro-6-methoxy-2-methyl-4-piperazin-1-ylquinoline
CID 121236492
3-bromo-6-methyl-2-piperazin-1-ylquinoline
CID 166485336
2-methoxy-6-methyl-4-piperazin-1-ylquinoline
CID 67319434
3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236420
2-(2-chloro-6-methyl-3-piperazin-1-ylquinolin-4-yl)acetamide
CID 139724135
2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline
CID 58475579
3-chloro-7-fluoro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236507

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline?
The IUPAC name of 3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline (CID 121236184) is 3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline is Cc1ccc2nc(C)c(Br)c(N3CCNCC3)c2c1.
What is the InChIKey of 3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline?
The InChIKey is DVBKVTSNZJJOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-3-4-13-12(9-10)15(14(16)11(2)18-13)19-7-5-17-6-8-19/h3-4,9,17H,5-8H2,1-2H3.
What are the key properties of 3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline?
3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline has a molecular weight of 320.23 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 121236184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).