4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol

C12H16N2O — CID 105456575

IUPAC4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol
SMILESOc1cccc2c1NCCC2N1CCC1
InChIInChI=1S/C12H16N2O/c15-11-4-1-3-9-10(14-7-2-8-14)5-6-13-12(9)11/h1,3-4,10,13,15H,2,5-8H2
InChIKeyAAQVTZZPMWPMKY-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.95
Rot. Bonds1

About 4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol

4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol (PubChem CID 105456575) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol
PubChem CID105456575
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol
SMILESOc1cccc2c1NCCC2N1CCC1
InChIInChI=1S/C12H16N2O/c15-11-4-1-3-9-10(14-7-2-8-14)5-6-13-12(9)11/h1,3-4,10,13,15H,2,5-8H2
InChIKeyAAQVTZZPMWPMKY-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol?
The IUPAC name of 4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol (CID 105456575) is 4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol.
What is the SMILES notation for 4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol?
The canonical SMILES for 4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol is Oc1cccc2c1NCCC2N1CCC1.
What is the InChIKey of 4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol?
The InChIKey is AAQVTZZPMWPMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-11-4-1-3-9-10(14-7-2-8-14)5-6-13-12(9)11/h1,3-4,10,13,15H,2,5-8H2.
What are the key properties of 4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol?
4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol has a molecular weight of 204.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol is sourced from PubChem (CID 105456575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).