3-bromo-6-methyl-4-piperazin-1-ylquinoline

C14H16BrN3 — CID 121236335

IUPAC3-bromo-6-methyl-4-piperazin-1-ylquinoline
SMILESCc1ccc2ncc(Br)c(N3CCNCC3)c2c1
InChIInChI=1S/C14H16BrN3/c1-10-2-3-13-11(8-10)14(12(15)9-17-13)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3
InChIKeyHLMYHHSSPOOHLV-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.72
Rot. Bonds1

About 3-bromo-6-methyl-4-piperazin-1-ylquinoline

3-bromo-6-methyl-4-piperazin-1-ylquinoline (PubChem CID 121236335) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-bromo-6-methyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-bromo-6-methyl-4-piperazin-1-ylquinoline
PubChem CID121236335
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-bromo-6-methyl-4-piperazin-1-ylquinoline
SMILESCc1ccc2ncc(Br)c(N3CCNCC3)c2c1
InChIInChI=1S/C14H16BrN3/c1-10-2-3-13-11(8-10)14(12(15)9-17-13)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3
InChIKeyHLMYHHSSPOOHLV-UHFFFAOYSA-N
XLogP2.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236366
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline
CID 121236184
3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline
CID 121236378
3,6-dichloro-4-piperazin-1-ylquinoline
CID 121236121
3-bromo-6-methyl-2-piperazin-1-ylquinoline
CID 166485336
3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline
CID 121236468
3-bromo-8-fluoro-4-piperazin-1-ylquinoline
CID 121236387
3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236154
2,8-dimethyl-4-piperazin-1-yl-[1,3]oxazolo[4,5-c]quinoline
CID 58475579
ethyl 6-ethoxy-4-piperazin-1-ylquinoline-3-carboxylate
CID 66487373
7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride
CID 121237126

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-4-piperazin-1-ylquinoline?
The IUPAC name of 3-bromo-6-methyl-4-piperazin-1-ylquinoline (CID 121236335) is 3-bromo-6-methyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 3-bromo-6-methyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 3-bromo-6-methyl-4-piperazin-1-ylquinoline is Cc1ccc2ncc(Br)c(N3CCNCC3)c2c1.
What is the InChIKey of 3-bromo-6-methyl-4-piperazin-1-ylquinoline?
The InChIKey is HLMYHHSSPOOHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-2-3-13-11(8-10)14(12(15)9-17-13)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 3-bromo-6-methyl-4-piperazin-1-ylquinoline?
3-bromo-6-methyl-4-piperazin-1-ylquinoline has a molecular weight of 306.21 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 121236335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).