2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine

C14H14N4O — CID 81341241

IUPAC2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine
SMILESCc1cc(Oc2ccc3cc(N)ccc3n2)n(C)n1
InChIInChI=1S/C14H14N4O/c1-9-7-14(18(2)17-9)19-13-6-3-10-8-11(15)4-5-12(10)16-13/h3-8H,15H2,1-2H3
InChIKeyQRFHSHRQOYRRIR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.65
Rot. Bonds2

About 2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine

2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine (PubChem CID 81341241) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine
PubChem CID81341241
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine
SMILESCc1cc(Oc2ccc3cc(N)ccc3n2)n(C)n1
InChIInChI=1S/C14H14N4O/c1-9-7-14(18(2)17-9)19-13-6-3-10-8-11(15)4-5-12(10)16-13/h3-8H,15H2,1-2H3
InChIKeyQRFHSHRQOYRRIR-UHFFFAOYSA-N
XLogP2.65
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine (CID 81341241) is 2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine is Cc1cc(Oc2ccc3cc(N)ccc3n2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine?
The InChIKey is QRFHSHRQOYRRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-7-14(18(2)17-9)19-13-6-3-10-8-11(15)4-5-12(10)16-13/h3-8H,15H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine?
2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine has a molecular weight of 254.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)oxyquinolin-6-amine is sourced from PubChem (CID 81341241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).