3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline

C14H15BrClN3 — CID 121236378

IUPAC3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline
SMILESCc1cc(Cl)c2ncc(Br)c(N3CCNCC3)c2c1
InChIInChI=1S/C14H15BrClN3/c1-9-6-10-13(12(16)7-9)18-8-11(15)14(10)19-4-2-17-3-5-19/h6-8,17H,2-5H2,1H3
InChIKeyNMCUPGPQTMUFSH-UHFFFAOYSA-N
MW340.65 g/mol
LogP3.37
Rot. Bonds1

About 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline

3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline (PubChem CID 121236378) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline
PubChem CID121236378
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC Name3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline
SMILESCc1cc(Cl)c2ncc(Br)c(N3CCNCC3)c2c1
InChIInChI=1S/C14H15BrClN3/c1-9-6-10-13(12(16)7-9)18-8-11(15)14(10)19-4-2-17-3-5-19/h6-8,17H,2-5H2,1H3
InChIKeyNMCUPGPQTMUFSH-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-6-methyl-4-piperazin-1-ylquinoline
CID 121236335
1-(2,6-dichloro-4-methylphenyl)piperazine
CID 166899180
3-bromo-7-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236366
3,6-dichloro-8-methyl-4-piperazin-1-ylquinoline
CID 121236125
3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236154
3-bromo-8-fluoro-4-piperazin-1-ylquinoline
CID 121236387
3-chloro-6,7-dimethyl-4-piperazin-1-ylquinoline
CID 121236468
7-bromo-3-chloro-4-piperazin-1-ylquinoline;hydrochloride
CID 121237126
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
3-chloro-5,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236465
3-bromo-2,6-dimethyl-4-piperazin-1-ylquinoline
CID 121236184
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline?
The IUPAC name of 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline (CID 121236378) is 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline is Cc1cc(Cl)c2ncc(Br)c(N3CCNCC3)c2c1.
What is the InChIKey of 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline?
The InChIKey is NMCUPGPQTMUFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-9-6-10-13(12(16)7-9)18-8-11(15)14(10)19-4-2-17-3-5-19/h6-8,17H,2-5H2,1H3.
What are the key properties of 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline?
3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline has a molecular weight of 340.65 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 121236378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).