2-(oxolan-3-yloxy)quinazoline

C12H12N2O2 — CID 67362717

IUPAC2-(oxolan-3-yloxy)quinazoline
SMILESc1ccc2nc(OC3CCOC3)ncc2c1
InChIInChI=1S/C12H12N2O2/c1-2-4-11-9(3-1)7-13-12(14-11)16-10-5-6-15-8-10/h1-4,7,10H,5-6,8H2
InChIKeyPKJIJECMPSQBNR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.80
Rot. Bonds2

About 2-(oxolan-3-yloxy)quinazoline

2-(oxolan-3-yloxy)quinazoline (PubChem CID 67362717) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)quinazoline.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)quinazoline
PubChem CID67362717
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(oxolan-3-yloxy)quinazoline
SMILESc1ccc2nc(OC3CCOC3)ncc2c1
InChIInChI=1S/C12H12N2O2/c1-2-4-11-9(3-1)7-13-12(14-11)16-10-5-6-15-8-10/h1-4,7,10H,5-6,8H2
InChIKeyPKJIJECMPSQBNR-UHFFFAOYSA-N
XLogP1.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)quinazoline?
The IUPAC name of 2-(oxolan-3-yloxy)quinazoline (CID 67362717) is 2-(oxolan-3-yloxy)quinazoline.
What is the SMILES notation for 2-(oxolan-3-yloxy)quinazoline?
The canonical SMILES for 2-(oxolan-3-yloxy)quinazoline is c1ccc2nc(OC3CCOC3)ncc2c1.
What is the InChIKey of 2-(oxolan-3-yloxy)quinazoline?
The InChIKey is PKJIJECMPSQBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-4-11-9(3-1)7-13-12(14-11)16-10-5-6-15-8-10/h1-4,7,10H,5-6,8H2.
What are the key properties of 2-(oxolan-3-yloxy)quinazoline?
2-(oxolan-3-yloxy)quinazoline has a molecular weight of 216.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)quinazoline is sourced from PubChem (CID 67362717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).