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

C9H11Cl2N — CID 50988446

IUPAC8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.Clc1cccc2c1NCCC2
InChIInChI=1S/C9H10ClN.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5,11H,2,4,6H2;1H
InChIKeyGPBWNHANBOLYQM-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.12
Rot. Bonds

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

8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 50988446) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID50988446
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.Clc1cccc2c1NCCC2
InChIInChI=1S/C9H10ClN.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5,11H,2,4,6H2;1H
InChIKeyGPBWNHANBOLYQM-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 50988446) is 8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride is Cl.Clc1cccc2c1NCCC2.
What is the InChIKey of 8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is GPBWNHANBOLYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1,3,5,11H,2,4,6H2;1H.
What are the key properties of 8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride?
8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 204.10 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 50988446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).