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

C13H17ClN2 — CID 105498664

IUPAC4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cccc2c1NCCC2CN1CCC1
InChIInChI=1S/C13H17ClN2/c14-12-4-1-3-11-10(5-6-15-13(11)12)9-16-7-2-8-16/h1,3-4,10,15H,2,5-9H2
InChIKeyFHWYIQXKCVNCKJ-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.94
Rot. Bonds2

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

4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline (PubChem CID 105498664) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline
PubChem CID105498664
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline
SMILESClc1cccc2c1NCCC2CN1CCC1
InChIInChI=1S/C13H17ClN2/c14-12-4-1-3-11-10(5-6-15-13(11)12)9-16-7-2-8-16/h1,3-4,10,15H,2,5-9H2
InChIKeyFHWYIQXKCVNCKJ-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline (CID 105498664) is 4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline is Clc1cccc2c1NCCC2CN1CCC1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline?
The InChIKey is FHWYIQXKCVNCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-12-4-1-3-11-10(5-6-15-13(11)12)9-16-7-2-8-16/h1,3-4,10,15H,2,5-9H2.
What are the key properties of 4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline?
4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline has a molecular weight of 236.75 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-8-chloro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105498664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).