O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine

C12H12FN3O — CID 166834627

IUPACO-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine
SMILESNOc1ccnc2ccc(N3CC(F)C3)cc12
InChIInChI=1S/C12H12FN3O/c13-8-6-16(7-8)9-1-2-11-10(5-9)12(17-14)3-4-15-11/h1-5,8H,6-7,14H2
InChIKeyLVZFKCTYQRRCSR-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.65
Rot. Bonds2

About O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine

O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine (PubChem CID 166834627) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine.

Molecular Properties

Compound NameO-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine
PubChem CID166834627
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameO-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine
SMILESNOc1ccnc2ccc(N3CC(F)C3)cc12
InChIInChI=1S/C12H12FN3O/c13-8-6-16(7-8)9-1-2-11-10(5-9)12(17-14)3-4-15-11/h1-5,8H,6-7,14H2
InChIKeyLVZFKCTYQRRCSR-UHFFFAOYSA-N
XLogP1.65
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[6-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]hydroxylamine;ethane
CID 157043155
ethane;4-(4-methoxyquinolin-6-yl)-2,6-dimethylmorpholine
CID 157043902
6-[(3R)-3-fluoroazepan-1-yl]quinoline-4-carboxylic acid
CID 164532604
2-ethyl-4-(4-methoxyquinolin-6-yl)-6-methylmorpholine
CID 170227184
ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
CID 157043543
4-butan-2-yloxy-6-(4,4-difluoropiperidin-1-yl)quinoline
CID 170009860
6-(3-azabicyclo[3.1.0]hexan-3-yl)quinoline-4-carboxylic acid
CID 164533157
methyl 6-(3-hydroxypyrrolidin-1-yl)quinoline-4-carboxylate
CID 167118448
6-(3-fluoroazetidin-1-yl)-N-[4-[6-[(2-methyl-4-pyridinyl)amino]-1H-benzimidazol-2-yl]phenyl]quinolin-4-amine
CID 157043355
ethyl 6-[3-(4-methylphenyl)azetidin-1-yl]quinoline-4-carboxylate
CID 164533160
6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-4-carboxylic acid
CID 164532574
6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 175477073

Frequently Asked Questions

What is the IUPAC name of O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine?
The IUPAC name of O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine (CID 166834627) is O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine.
What is the SMILES notation for O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine?
The canonical SMILES for O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine is NOc1ccnc2ccc(N3CC(F)C3)cc12.
What is the InChIKey of O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine?
The InChIKey is LVZFKCTYQRRCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-8-6-16(7-8)9-1-2-11-10(5-9)12(17-14)3-4-15-11/h1-5,8H,6-7,14H2.
What are the key properties of O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine?
O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine has a molecular weight of 233.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[6-(3-fluoroazetidin-1-yl)quinolin-4-yl]hydroxylamine is sourced from PubChem (CID 166834627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).