6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride

C9H10Cl3N — CID 71757031

IUPAC6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.Clc1cc(Cl)c2c(c1)CCCN2
InChIInChI=1S/C9H9Cl2N.ClH/c10-7-4-6-2-1-3-12-9(6)8(11)5-7;/h4-5,12H,1-3H2;1H
InChIKeyAOQLVYHSDZZFEZ-UHFFFAOYSA-N
MW238.54 g/mol
LogP3.77
Rot. Bonds

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

6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 71757031) has the molecular formula C9H10Cl3N and a molecular weight of 238.54 g/mol. Its IUPAC name is 6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID71757031
Molecular FormulaC9H10Cl3N
Molecular Weight238.54 g/mol
Exact Mass236.99
IUPAC Name6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.Clc1cc(Cl)c2c(c1)CCCN2
InChIInChI=1S/C9H9Cl2N.ClH/c10-7-4-6-2-1-3-12-9(6)8(11)5-7;/h4-5,12H,1-3H2;1H
InChIKeyAOQLVYHSDZZFEZ-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 71757031) is 6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride is Cl.Clc1cc(Cl)c2c(c1)CCCN2.
What is the InChIKey of 6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is AOQLVYHSDZZFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N.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 6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 238.54 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 71757031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).