4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine

C19H17N3O3 — CID 46916175

IUPAC4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C19H17N3O3/c1-3-16-15(19(21-11-20-16)22-5-7-23-8-6-22)9-13(1)14-2-4-17-18(10-14)25-12-24-17/h1-4,9-11H,5-8,12H2
InChIKeyXKZBUEWJHJYMRU-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.86
Rot. Bonds2

About 4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine

4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine (PubChem CID 46916175) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine
PubChem CID46916175
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1
InChIInChI=1S/C19H17N3O3/c1-3-16-15(19(21-11-20-16)22-5-7-23-8-6-22)9-13(1)14-2-4-17-18(10-14)25-12-24-17/h1-4,9-11H,5-8,12H2
InChIKeyXKZBUEWJHJYMRU-UHFFFAOYSA-N
XLogP2.86
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine (CID 46916175) is 4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine is c1nc(N2CCOCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1.
What is the InChIKey of 4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine?
The InChIKey is XKZBUEWJHJYMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-3-16-15(19(21-11-20-16)22-5-7-23-8-6-22)9-13(1)14-2-4-17-18(10-14)25-12-24-17/h1-4,9-11H,5-8,12H2.
What are the key properties of 4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine?
4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine has a molecular weight of 335.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,3-benzodioxol-5-yl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 46916175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).