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

C13H9ClN4O — CID 116525568

IUPAC5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
SMILESNc1ccc(Oc2ncc(Cl)cn2)c2cccnc12
InChIInChI=1S/C13H9ClN4O/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
InChIKeyXHJJMQCZWDLYCD-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.05
Rot. Bonds2

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

5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine (PubChem CID 116525568) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine.

Molecular Properties

Compound Name5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
PubChem CID116525568
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
SMILESNc1ccc(Oc2ncc(Cl)cn2)c2cccnc12
InChIInChI=1S/C13H9ClN4O/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
InChIKeyXHJJMQCZWDLYCD-UHFFFAOYSA-N
XLogP3.05
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525609
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine
CID 43449591
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
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
8-(4-chlorophenoxy)quinolin-5-amine
CID 43450277
5-[(5-bromo-3-methyl-2-pyridinyl)oxy]quinolin-8-amine
CID 116525570
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine?
The IUPAC name of 5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine (CID 116525568) is 5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine.
What is the SMILES notation for 5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine?
The canonical SMILES for 5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine is Nc1ccc(Oc2ncc(Cl)cn2)c2cccnc12.
What is the InChIKey of 5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine?
The InChIKey is XHJJMQCZWDLYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/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-chloropyrimidin-2-yl)oxyquinolin-8-amine?
5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine has a molecular weight of 272.70 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine is sourced from PubChem (CID 116525568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).