6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one

C11H11N3O3 — CID 136809586

IUPAC6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one
SMILESNc1ccc2nc(OC3COC3)[nH]c(=O)c2c1
InChIInChI=1S/C11H11N3O3/c12-6-1-2-9-8(3-6)10(15)14-11(13-9)17-7-4-16-5-7/h1-3,7H,4-5,12H2,(H,13,14,15)
InChIKeyINJFHQDVCLNOKC-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.28
Rot. Bonds2

About 6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one

6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one (PubChem CID 136809586) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one
PubChem CID136809586
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one
SMILESNc1ccc2nc(OC3COC3)[nH]c(=O)c2c1
InChIInChI=1S/C11H11N3O3/c12-6-1-2-9-8(3-6)10(15)14-11(13-9)17-7-4-16-5-7/h1-3,7H,4-5,12H2,(H,13,14,15)
InChIKeyINJFHQDVCLNOKC-UHFFFAOYSA-N
XLogP0.28
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510
6-amino-2-(3-methylbutan-2-yloxy)-3H-quinazolin-4-one
CID 136809560
6-amino-2-(2-methylphenoxy)-3H-quinazolin-4-one
CID 136809447
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)oxy]benzonitrile
CID 136809460
6-amino-2-[(2-methyl-3-pyridinyl)oxy]-3H-quinazolin-4-one
CID 136809559
6-amino-2-[2-(hydroxymethyl)phenoxy]-3H-quinazolin-4-one
CID 136809534
6-amino-2-(2-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809564
6-amino-2-(3-bromo-5-fluorophenoxy)-3H-quinazolin-4-one
CID 136809561
6-amino-2-(2,5-dimethylpyrazol-3-yl)oxy-3H-quinazolin-4-one
CID 136809563
6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one
CID 136785565
6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
CID 136808657

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one (CID 136809586) is 6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one is Nc1ccc2nc(OC3COC3)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one?
The InChIKey is INJFHQDVCLNOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-6-1-2-9-8(3-6)10(15)14-11(13-9)17-7-4-16-5-7/h1-3,7H,4-5,12H2,(H,13,14,15).
What are the key properties of 6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one?
6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one has a molecular weight of 233.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one is sourced from PubChem (CID 136809586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).