(2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium

C11H15ClN+ — CID 163552532

IUPAC(2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium
SMILESCCC1CCc2cc([ClH+])ccc2N1
InChIInChI=1S/C11H15ClN/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10/h4,6-7,10,12-13H,2-3,5H2,1H3/q+1
InChIKeyFKGCUVPPNMFVBJ-UHFFFAOYSA-N
MW196.70 g/mol
LogP2.52
Rot. Bonds1

About (2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium

(2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium (PubChem CID 163552532) has the molecular formula C11H15ClN+ and a molecular weight of 196.70 g/mol. Its IUPAC name is (2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium.

Molecular Properties

Compound Name(2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium
PubChem CID163552532
Molecular FormulaC11H15ClN+
Molecular Weight196.70 g/mol
Exact Mass196.09
IUPAC Name(2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium
SMILESCCC1CCc2cc([ClH+])ccc2N1
InChIInChI=1S/C11H15ClN/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10/h4,6-7,10,12-13H,2-3,5H2,1H3/q+1
InChIKeyFKGCUVPPNMFVBJ-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium?
The IUPAC name of (2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium (CID 163552532) is (2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium.
What is the SMILES notation for (2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium?
The canonical SMILES for (2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium is CCC1CCc2cc([ClH+])ccc2N1.
What is the InChIKey of (2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium?
The InChIKey is FKGCUVPPNMFVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10/h4,6-7,10,12-13H,2-3,5H2,1H3/q+1.
What are the key properties of (2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium?
(2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium has a molecular weight of 196.70 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)chloranium is sourced from PubChem (CID 163552532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).