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'}

Analyze 7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine
CID 69041177
7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 22649254
7-(3-piperazin-1-ylpropoxy)quinazolin-4-amine
CID 141103822
7-(oxolan-3-yloxy)quinazolin-4-amine
CID 150616160
1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone
CID 141289176
7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 141012316
6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 72877134
7-(3-morpholin-4-ylpropoxy)-6-nitroquinazolin-4-amine
CID 141038732
4-[3-[4-(1-hydroxyindol-3-yl)quinazolin-7-yl]oxypropyl]morpholine
CID 139836432
5-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 154327108
(Z)-5-[5-(2-morpholin-4-ylethoxy)benzimidazol-1-yl]pent-3-en-2-amine
CID 137396409
7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54490718

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).