4-(oxolan-3-yloxy)quinazolin-2-amine

C12H13N3O2 — CID 80876588

IUPAC4-(oxolan-3-yloxy)quinazolin-2-amine
SMILESNc1nc(OC2CCOC2)c2ccccc2n1
InChIInChI=1S/C12H13N3O2/c13-12-14-10-4-2-1-3-9(10)11(15-12)17-8-5-6-16-7-8/h1-4,8H,5-7H2,(H2,13,14,15)
InChIKeyQCJZLDMTTJGMJF-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.38
Rot. Bonds2

About 4-(oxolan-3-yloxy)quinazolin-2-amine

4-(oxolan-3-yloxy)quinazolin-2-amine (PubChem CID 80876588) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(oxolan-3-yloxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(oxolan-3-yloxy)quinazolin-2-amine
PubChem CID80876588
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(oxolan-3-yloxy)quinazolin-2-amine
SMILESNc1nc(OC2CCOC2)c2ccccc2n1
InChIInChI=1S/C12H13N3O2/c13-12-14-10-4-2-1-3-9(10)11(15-12)17-8-5-6-16-7-8/h1-4,8H,5-7H2,(H2,13,14,15)
InChIKeyQCJZLDMTTJGMJF-UHFFFAOYSA-N
XLogP1.38
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(oxolan-3-yloxy)quinazolin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yloxy)quinazolin-2-amine?
The IUPAC name of 4-(oxolan-3-yloxy)quinazolin-2-amine (CID 80876588) is 4-(oxolan-3-yloxy)quinazolin-2-amine.
What is the SMILES notation for 4-(oxolan-3-yloxy)quinazolin-2-amine?
The canonical SMILES for 4-(oxolan-3-yloxy)quinazolin-2-amine is Nc1nc(OC2CCOC2)c2ccccc2n1.
What is the InChIKey of 4-(oxolan-3-yloxy)quinazolin-2-amine?
The InChIKey is QCJZLDMTTJGMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-12-14-10-4-2-1-3-9(10)11(15-12)17-8-5-6-16-7-8/h1-4,8H,5-7H2,(H2,13,14,15).
What are the key properties of 4-(oxolan-3-yloxy)quinazolin-2-amine?
4-(oxolan-3-yloxy)quinazolin-2-amine has a molecular weight of 231.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yloxy)quinazolin-2-amine is sourced from PubChem (CID 80876588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).