3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol

C12H16N2O — CID 105456577

IUPAC3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol
SMILESOc1ccc2c(c1)NCC(N1CCC1)C2
InChIInChI=1S/C12H16N2O/c15-11-3-2-9-6-10(14-4-1-5-14)8-13-12(9)7-11/h2-3,7,10,13,15H,1,4-6,8H2
InChIKeyQFYZRPVDJYWVKE-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.43
Rot. Bonds1

About 3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol

3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol (PubChem CID 105456577) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol.

Molecular Properties

Compound Name3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol
PubChem CID105456577
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol
SMILESOc1ccc2c(c1)NCC(N1CCC1)C2
InChIInChI=1S/C12H16N2O/c15-11-3-2-9-6-10(14-4-1-5-14)8-13-12(9)7-11/h2-3,7,10,13,15H,1,4-6,8H2
InChIKeyQFYZRPVDJYWVKE-UHFFFAOYSA-N
XLogP1.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol?
The IUPAC name of 3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol (CID 105456577) is 3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol.
What is the SMILES notation for 3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol?
The canonical SMILES for 3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol is Oc1ccc2c(c1)NCC(N1CCC1)C2.
What is the InChIKey of 3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol?
The InChIKey is QFYZRPVDJYWVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-11-3-2-9-6-10(14-4-1-5-14)8-13-12(9)7-11/h2-3,7,10,13,15H,1,4-6,8H2.
What are the key properties of 3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol?
3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol has a molecular weight of 204.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-7-ol is sourced from PubChem (CID 105456577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).