3-bromo-6-methyl-2-piperazin-1-ylquinoline

C14H16BrN3 — CID 166485336

IUPAC3-bromo-6-methyl-2-piperazin-1-ylquinoline
SMILESCc1ccc2nc(N3CCNCC3)c(Br)cc2c1
InChIInChI=1S/C14H16BrN3/c1-10-2-3-13-11(8-10)9-12(15)14(17-13)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3
InChIKeyYJJNULQZIIUSDO-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.72
Rot. Bonds1

About 3-bromo-6-methyl-2-piperazin-1-ylquinoline

3-bromo-6-methyl-2-piperazin-1-ylquinoline (PubChem CID 166485336) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 3-bromo-6-methyl-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-bromo-6-methyl-2-piperazin-1-ylquinoline
PubChem CID166485336
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name3-bromo-6-methyl-2-piperazin-1-ylquinoline
SMILESCc1ccc2nc(N3CCNCC3)c(Br)cc2c1
InChIInChI=1S/C14H16BrN3/c1-10-2-3-13-11(8-10)9-12(15)14(17-13)18-6-4-16-5-7-18/h2-3,8-9,16H,4-7H2,1H3
InChIKeyYJJNULQZIIUSDO-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-2-piperazin-1-ylquinoline?
The IUPAC name of 3-bromo-6-methyl-2-piperazin-1-ylquinoline (CID 166485336) is 3-bromo-6-methyl-2-piperazin-1-ylquinoline.
What is the SMILES notation for 3-bromo-6-methyl-2-piperazin-1-ylquinoline?
The canonical SMILES for 3-bromo-6-methyl-2-piperazin-1-ylquinoline is Cc1ccc2nc(N3CCNCC3)c(Br)cc2c1.
What is the InChIKey of 3-bromo-6-methyl-2-piperazin-1-ylquinoline?
The InChIKey is YJJNULQZIIUSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-2-3-13-11(8-10)9-12(15)14(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-2-piperazin-1-ylquinoline?
3-bromo-6-methyl-2-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-2-piperazin-1-ylquinoline is sourced from PubChem (CID 166485336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).