6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride

C9H10BrCl2N — CID 50988445

IUPAC6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.Clc1cc(Br)cc2c1NCCC2
InChIInChI=1S/C9H9BrClN.ClH/c10-7-4-6-2-1-3-12-9(6)8(11)5-7;/h4-5,12H,1-3H2;1H
InChIKeyUFQYGFXSOJZKEO-UHFFFAOYSA-N
MW283.00 g/mol
LogP3.88
Rot. Bonds

About 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride

6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 50988445) has the molecular formula C9H10BrCl2N and a molecular weight of 283.00 g/mol. Its IUPAC name is 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID50988445
Molecular FormulaC9H10BrCl2N
Molecular Weight283.00 g/mol
Exact Mass280.94
IUPAC Name6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.Clc1cc(Br)cc2c1NCCC2
InChIInChI=1S/C9H9BrClN.ClH/c10-7-4-6-2-1-3-12-9(6)8(11)5-7;/h4-5,12H,1-3H2;1H
InChIKeyUFQYGFXSOJZKEO-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.00
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 50988445) is 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride is Cl.Clc1cc(Br)cc2c1NCCC2.
What is the InChIKey of 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is UFQYGFXSOJZKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN.ClH/c10-7-4-6-2-1-3-12-9(6)8(11)5-7;/h4-5,12H,1-3H2;1H.
What are the key properties of 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 283.00 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 50988445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).