3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline

C12H15ClN2 — CID 105480170

IUPAC3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cccc2c1NCC(N1CCC1)C2
InChIInChI=1S/C12H15ClN2/c13-11-4-1-3-9-7-10(8-14-12(9)11)15-5-2-6-15/h1,3-4,10,14H,2,5-8H2
InChIKeyXXBYWYVWICHXRY-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.38
Rot. Bonds1

About 3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline

3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline (PubChem CID 105480170) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline
PubChem CID105480170
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cccc2c1NCC(N1CCC1)C2
InChIInChI=1S/C12H15ClN2/c13-11-4-1-3-9-7-10(8-14-12(9)11)15-5-2-6-15/h1,3-4,10,14H,2,5-8H2
InChIKeyXXBYWYVWICHXRY-UHFFFAOYSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline (CID 105480170) is 3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline is Clc1cccc2c1NCC(N1CCC1)C2.
What is the InChIKey of 3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline?
The InChIKey is XXBYWYVWICHXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-11-4-1-3-9-7-10(8-14-12(9)11)15-5-2-6-15/h1,3-4,10,14H,2,5-8H2.
What are the key properties of 3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline?
3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline has a molecular weight of 222.72 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-8-chloro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105480170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).