3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride

C14H17BrClN3 — CID 121236366

IUPAC3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1ccc2c(N3CCNCC3)c(Br)cnc2c1.Cl
InChIInChI=1S/C14H16BrN3.ClH/c1-10-2-3-11-13(8-10)17-9-12(15)14(11)18-6-4-16-5-7-18;/h2-3,8-9,16H,4-7H2,1H3;1H
InChIKeyHZWBKMXJFADQGS-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.14
Rot. Bonds1

About 3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride

3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride (PubChem CID 121236366) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride.

Molecular Properties

Compound Name3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride
PubChem CID121236366
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride
SMILESCc1ccc2c(N3CCNCC3)c(Br)cnc2c1.Cl
InChIInChI=1S/C14H16BrN3.ClH/c1-10-2-3-11-13(8-10)17-9-12(15)14(11)18-6-4-16-5-7-18;/h2-3,8-9,16H,4-7H2,1H3;1H
InChIKeyHZWBKMXJFADQGS-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The IUPAC name of 3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride (CID 121236366) is 3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride.
What is the SMILES notation for 3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The canonical SMILES for 3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride is Cc1ccc2c(N3CCNCC3)c(Br)cnc2c1.Cl.
What is the InChIKey of 3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride?
The InChIKey is HZWBKMXJFADQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3.ClH/c1-10-2-3-11-13(8-10)17-9-12(15)14(11)18-6-4-16-5-7-18;/h2-3,8-9,16H,4-7H2,1H3;1H.
What are the key properties of 3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride?
3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride has a molecular weight of 342.67 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride is sourced from PubChem (CID 121236366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).