6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one

C14H16N4O2 — CID 136809137

IUPAC6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one
SMILESNc1ccc2nc(N3CC4CCC(C3)O4)[nH]c(=O)c2c1
InChIInChI=1S/C14H16N4O2/c15-8-1-4-12-11(5-8)13(19)17-14(16-12)18-6-9-2-3-10(7-18)20-9/h1,4-5,9-10H,2-3,6-7,15H2,(H,16,17,19)
InChIKeyHILARPWIZZPSQL-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.87
Rot. Bonds1

About 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one

6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one (PubChem CID 136809137) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one
PubChem CID136809137
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one
SMILESNc1ccc2nc(N3CC4CCC(C3)O4)[nH]c(=O)c2c1
InChIInChI=1S/C14H16N4O2/c15-8-1-4-12-11(5-8)13(19)17-14(16-12)18-6-9-2-3-10(7-18)20-9/h1,4-5,9-10H,2-3,6-7,15H2,(H,16,17,19)
InChIKeyHILARPWIZZPSQL-UHFFFAOYSA-N
XLogP0.87
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one with MolForge

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Related Compounds

6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one
CID 136808516
6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
CID 136808513
6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one
CID 136809226
4-(6-amino-4-oxo-3H-quinazolin-2-yl)morpholine-3-carboxamide
CID 136809221
6-amino-2-cycloheptyloxy-3H-quinazolin-4-one
CID 136809510
6-amino-2-[(1-methylpyrrolidin-3-yl)amino]-3H-quinazolin-4-one
CID 136808808
6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one
CID 136809039
1-(6-amino-4-oxo-3H-quinazolin-2-yl)pyrrole-2-carbonitrile
CID 136809425
6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
CID 136808657
6-amino-2-(oxetan-3-yloxy)-3H-quinazolin-4-one
CID 136809586
3-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline
CID 66391697

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one (CID 136809137) is 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one is Nc1ccc2nc(N3CC4CCC(C3)O4)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one?
The InChIKey is HILARPWIZZPSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-8-1-4-12-11(5-8)13(19)17-14(16-12)18-6-9-2-3-10(7-18)20-9/h1,4-5,9-10H,2-3,6-7,15H2,(H,16,17,19).
What are the key properties of 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one?
6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one has a molecular weight of 272.31 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136809137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).