7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine

C16H20N4O — CID 69041177

IUPAC7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine
SMILESNc1ncnc2cc(OCC=CCN3CCCC3)ccc12
InChIInChI=1S/C16H20N4O/c17-16-14-6-5-13(11-15(14)18-12-19-16)21-10-4-3-9-20-7-1-2-8-20/h3-6,11-12H,1-2,7-10H2,(H2,17,18,19)
InChIKeyYAPQJCUVLUMYHI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.24
Rot. Bonds5

About 7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine

7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine (PubChem CID 69041177) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine.

Molecular Properties

Compound Name7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine
PubChem CID69041177
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine
SMILESNc1ncnc2cc(OCC=CCN3CCCC3)ccc12
InChIInChI=1S/C16H20N4O/c17-16-14-6-5-13(11-15(14)18-12-19-16)21-10-4-3-9-20-7-1-2-8-20/h3-6,11-12H,1-2,7-10H2,(H2,17,18,19)
InChIKeyYAPQJCUVLUMYHI-UHFFFAOYSA-N
XLogP2.24
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine?
The IUPAC name of 7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine (CID 69041177) is 7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine.
What is the SMILES notation for 7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine?
The canonical SMILES for 7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine is Nc1ncnc2cc(OCC=CCN3CCCC3)ccc12.
What is the InChIKey of 7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine?
The InChIKey is YAPQJCUVLUMYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-16-14-6-5-13(11-15(14)18-12-19-16)21-10-4-3-9-20-7-1-2-8-20/h3-6,11-12H,1-2,7-10H2,(H2,17,18,19).
What are the key properties of 7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine?
7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine is sourced from PubChem (CID 69041177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).