6-chloro-1,2,3,4-tetrahydroquinoline

C9H10ClN — CID 11182839

IUPAC6-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1ccc2c(c1)CCCN2
InChIInChI=1S/C9H10ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2
InChIKeyPASUADIMFGAUDB-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.70
Rot. Bonds

About 6-chloro-1,2,3,4-tetrahydroquinoline

6-chloro-1,2,3,4-tetrahydroquinoline (PubChem CID 11182839) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 6-chloro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-chloro-1,2,3,4-tetrahydroquinoline
PubChem CID11182839
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name6-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1ccc2c(c1)CCCN2
InChIInChI=1S/C9H10ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2
InChIKeyPASUADIMFGAUDB-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-chloro-1,2,3,4-tetrahydroquinoline (CID 11182839) is 6-chloro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-chloro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-chloro-1,2,3,4-tetrahydroquinoline is Clc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-chloro-1,2,3,4-tetrahydroquinoline?
The InChIKey is PASUADIMFGAUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2.
What are the key properties of 6-chloro-1,2,3,4-tetrahydroquinoline?
6-chloro-1,2,3,4-tetrahydroquinoline has a molecular weight of 167.64 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 11182839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).