7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline

C12H16N2 — CID 14835988

IUPAC7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)CCC(N1CCC1)C2
InChIInChI=1S/C12H16N2/c1-3-10-4-5-11(14-7-2-8-14)9-12(10)13-6-1/h1,3,6,11H,2,4-5,7-9H2
InChIKeyDLOKMMUMURYCEB-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.64
Rot. Bonds1

About 7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline

7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 14835988) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID14835988
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)CCC(N1CCC1)C2
InChIInChI=1S/C12H16N2/c1-3-10-4-5-11(14-7-2-8-14)9-12(10)13-6-1/h1,3,6,11H,2,4-5,7-9H2
InChIKeyDLOKMMUMURYCEB-UHFFFAOYSA-N
XLogP1.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline (CID 14835988) is 7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline is c1cnc2c(c1)CCC(N1CCC1)C2.
What is the InChIKey of 7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is DLOKMMUMURYCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-10-4-5-11(14-7-2-8-14)9-12(10)13-6-1/h1,3,6,11H,2,4-5,7-9H2.
What are the key properties of 7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline?
7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 188.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 14835988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).