7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine

C16H20N4O2 — CID 69039069

IUPAC7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine
SMILESNc1ncnc2cc(OCC=CCN3CCOCC3)ccc12
InChIInChI=1S/C16H20N4O2/c17-16-14-4-3-13(11-15(14)18-12-19-16)22-8-2-1-5-20-6-9-21-10-7-20/h1-4,11-12H,5-10H2,(H2,17,18,19)
InChIKeyWVWJTSLQFAYSAU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.48
Rot. Bonds5

About 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine

7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine (PubChem CID 69039069) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine.

Molecular Properties

Compound Name7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine
PubChem CID69039069
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine
SMILESNc1ncnc2cc(OCC=CCN3CCOCC3)ccc12
InChIInChI=1S/C16H20N4O2/c17-16-14-4-3-13(11-15(14)18-12-19-16)22-8-2-1-5-20-6-9-21-10-7-20/h1-4,11-12H,5-10H2,(H2,17,18,19)
InChIKeyWVWJTSLQFAYSAU-UHFFFAOYSA-N
XLogP1.48
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine?
The IUPAC name of 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine (CID 69039069) is 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine.
What is the SMILES notation for 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine?
The canonical SMILES for 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine is Nc1ncnc2cc(OCC=CCN3CCOCC3)ccc12.
What is the InChIKey of 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine?
The InChIKey is WVWJTSLQFAYSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-16-14-4-3-13(11-15(14)18-12-19-16)22-8-2-1-5-20-6-9-21-10-7-20/h1-4,11-12H,5-10H2,(H2,17,18,19).
What are the key properties of 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine?
7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine has a molecular weight of 300.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine is sourced from PubChem (CID 69039069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).