5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine

C13H9FN4O — CID 116525609

IUPAC5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine
SMILESNc1ccc(Oc2ncc(F)cn2)c2cccnc12
InChIInChI=1S/C13H9FN4O/c14-8-6-17-13(18-7-8)19-11-4-3-10(15)12-9(11)2-1-5-16-12/h1-7H,15H2
InChIKeyJCENJZZCJVMWIC-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.54
Rot. Bonds2

About 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine

5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine (PubChem CID 116525609) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine.

Molecular Properties

Compound Name5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine
PubChem CID116525609
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine
SMILESNc1ccc(Oc2ncc(F)cn2)c2cccnc12
InChIInChI=1S/C13H9FN4O/c14-8-6-17-13(18-7-8)19-11-4-3-10(15)12-9(11)2-1-5-16-12/h1-7H,15H2
InChIKeyJCENJZZCJVMWIC-UHFFFAOYSA-N
XLogP2.54
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525568
5-(3-bromo-5-fluorophenoxy)quinolin-8-amine
CID 81322073
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
5-(1,2,4-thiadiazol-5-yloxy)quinolin-8-amine
CID 116525595
5-propan-2-yloxyquinolin-8-amine
CID 43449641
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-[(5-bromo-3-methyl-2-pyridinyl)oxy]quinolin-8-amine
CID 116525570

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine?
The IUPAC name of 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine (CID 116525609) is 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine.
What is the SMILES notation for 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine?
The canonical SMILES for 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine is Nc1ccc(Oc2ncc(F)cn2)c2cccnc12.
What is the InChIKey of 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine?
The InChIKey is JCENJZZCJVMWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-8-6-17-13(18-7-8)19-11-4-3-10(15)12-9(11)2-1-5-16-12/h1-7H,15H2.
What are the key properties of 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine?
5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine has a molecular weight of 256.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine is sourced from PubChem (CID 116525609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).