4-chloro-2,3,5,6-tetrahydroquinoline

C9H10ClN — CID 21082819

IUPAC4-chloro-2,3,5,6-tetrahydroquinoline
SMILESClC1=C2CCC=CC2=NCC1
InChIInChI=1S/C9H10ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h2,4H,1,3,5-6H2
InChIKeyOCKXSLLSLGPKKX-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.67
Rot. Bonds

About 4-chloro-2,3,5,6-tetrahydroquinoline

4-chloro-2,3,5,6-tetrahydroquinoline (PubChem CID 21082819) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 4-chloro-2,3,5,6-tetrahydroquinoline.

Molecular Properties

Compound Name4-chloro-2,3,5,6-tetrahydroquinoline
PubChem CID21082819
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name4-chloro-2,3,5,6-tetrahydroquinoline
SMILESClC1=C2CCC=CC2=NCC1
InChIInChI=1S/C9H10ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h2,4H,1,3,5-6H2
InChIKeyOCKXSLLSLGPKKX-UHFFFAOYSA-N
XLogP2.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3,5,6-tetrahydroquinoline?
The IUPAC name of 4-chloro-2,3,5,6-tetrahydroquinoline (CID 21082819) is 4-chloro-2,3,5,6-tetrahydroquinoline.
What is the SMILES notation for 4-chloro-2,3,5,6-tetrahydroquinoline?
The canonical SMILES for 4-chloro-2,3,5,6-tetrahydroquinoline is ClC1=C2CCC=CC2=NCC1.
What is the InChIKey of 4-chloro-2,3,5,6-tetrahydroquinoline?
The InChIKey is OCKXSLLSLGPKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h2,4H,1,3,5-6H2.
What are the key properties of 4-chloro-2,3,5,6-tetrahydroquinoline?
4-chloro-2,3,5,6-tetrahydroquinoline has a molecular weight of 167.64 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3,5,6-tetrahydroquinoline is sourced from PubChem (CID 21082819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).