4-(oxan-2-yloxy)quinazoline

C13H14N2O2 — CID 141360796

IUPAC4-(oxan-2-yloxy)quinazoline
SMILESc1ccc2c(OC3CCCCO3)ncnc2c1
InChIInChI=1S/C13H14N2O2/c1-2-6-11-10(5-1)13(15-9-14-11)17-12-7-3-4-8-16-12/h1-2,5-6,9,12H,3-4,7-8H2
InChIKeyPOPHXLPCODXSAG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.54
Rot. Bonds2

About 4-(oxan-2-yloxy)quinazoline

4-(oxan-2-yloxy)quinazoline (PubChem CID 141360796) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(oxan-2-yloxy)quinazoline.

Molecular Properties

Compound Name4-(oxan-2-yloxy)quinazoline
PubChem CID141360796
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(oxan-2-yloxy)quinazoline
SMILESc1ccc2c(OC3CCCCO3)ncnc2c1
InChIInChI=1S/C13H14N2O2/c1-2-6-11-10(5-1)13(15-9-14-11)17-12-7-3-4-8-16-12/h1-2,5-6,9,12H,3-4,7-8H2
InChIKeyPOPHXLPCODXSAG-UHFFFAOYSA-N
XLogP2.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yloxy)quinazoline?
The IUPAC name of 4-(oxan-2-yloxy)quinazoline (CID 141360796) is 4-(oxan-2-yloxy)quinazoline.
What is the SMILES notation for 4-(oxan-2-yloxy)quinazoline?
The canonical SMILES for 4-(oxan-2-yloxy)quinazoline is c1ccc2c(OC3CCCCO3)ncnc2c1.
What is the InChIKey of 4-(oxan-2-yloxy)quinazoline?
The InChIKey is POPHXLPCODXSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-6-11-10(5-1)13(15-9-14-11)17-12-7-3-4-8-16-12/h1-2,5-6,9,12H,3-4,7-8H2.
What are the key properties of 4-(oxan-2-yloxy)quinazoline?
4-(oxan-2-yloxy)quinazoline has a molecular weight of 230.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yloxy)quinazoline is sourced from PubChem (CID 141360796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).