4-(4-pyrazol-1-ylphenoxy)quinazoline

C17H12N4O — CID 138038739

IUPAC4-(4-pyrazol-1-ylphenoxy)quinazoline
SMILESc1ccc2c(Oc3ccc(-n4cccn4)cc3)ncnc2c1
InChIInChI=1S/C17H12N4O/c1-2-5-16-15(4-1)17(19-12-18-16)22-14-8-6-13(7-9-14)21-11-3-10-20-21/h1-12H
InChIKeyQCXWEUWARHROAB-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.61
Rot. Bonds3

About 4-(4-pyrazol-1-ylphenoxy)quinazoline

4-(4-pyrazol-1-ylphenoxy)quinazoline (PubChem CID 138038739) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(4-pyrazol-1-ylphenoxy)quinazoline.

Molecular Properties

Compound Name4-(4-pyrazol-1-ylphenoxy)quinazoline
PubChem CID138038739
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name4-(4-pyrazol-1-ylphenoxy)quinazoline
SMILESc1ccc2c(Oc3ccc(-n4cccn4)cc3)ncnc2c1
InChIInChI=1S/C17H12N4O/c1-2-5-16-15(4-1)17(19-12-18-16)22-14-8-6-13(7-9-14)21-11-3-10-20-21/h1-12H
InChIKeyQCXWEUWARHROAB-UHFFFAOYSA-N
XLogP3.61
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazol-1-ylphenoxy)quinazoline?
The IUPAC name of 4-(4-pyrazol-1-ylphenoxy)quinazoline (CID 138038739) is 4-(4-pyrazol-1-ylphenoxy)quinazoline.
What is the SMILES notation for 4-(4-pyrazol-1-ylphenoxy)quinazoline?
The canonical SMILES for 4-(4-pyrazol-1-ylphenoxy)quinazoline is c1ccc2c(Oc3ccc(-n4cccn4)cc3)ncnc2c1.
What is the InChIKey of 4-(4-pyrazol-1-ylphenoxy)quinazoline?
The InChIKey is QCXWEUWARHROAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-2-5-16-15(4-1)17(19-12-18-16)22-14-8-6-13(7-9-14)21-11-3-10-20-21/h1-12H.
What are the key properties of 4-(4-pyrazol-1-ylphenoxy)quinazoline?
4-(4-pyrazol-1-ylphenoxy)quinazoline has a molecular weight of 288.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazol-1-ylphenoxy)quinazoline is sourced from PubChem (CID 138038739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).