2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline

C15H17FN4 — CID 70307993

IUPAC2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline
SMILESFc1ccc2nc(N3CCC4CCC3CN4)ncc2c1
InChIInChI=1S/C15H17FN4/c16-11-1-4-14-10(7-11)8-18-15(19-14)20-6-5-12-2-3-13(20)9-17-12/h1,4,7-8,12-13,17H,2-3,5-6,9H2
InChIKeyWUCLBEZBHBDXIL-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.10
Rot. Bonds1

About 2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline

2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline (PubChem CID 70307993) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline.

Molecular Properties

Compound Name2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline
PubChem CID70307993
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline
SMILESFc1ccc2nc(N3CCC4CCC3CN4)ncc2c1
InChIInChI=1S/C15H17FN4/c16-11-1-4-14-10(7-11)8-18-15(19-14)20-6-5-12-2-3-13(20)9-17-12/h1,4,7-8,12-13,17H,2-3,5-6,9H2
InChIKeyWUCLBEZBHBDXIL-UHFFFAOYSA-N
XLogP2.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline?
The IUPAC name of 2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline (CID 70307993) is 2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline.
What is the SMILES notation for 2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline?
The canonical SMILES for 2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline is Fc1ccc2nc(N3CCC4CCC3CN4)ncc2c1.
What is the InChIKey of 2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline?
The InChIKey is WUCLBEZBHBDXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c16-11-1-4-14-10(7-11)8-18-15(19-14)20-6-5-12-2-3-13(20)9-17-12/h1,4,7-8,12-13,17H,2-3,5-6,9H2.
What are the key properties of 2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline?
2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline has a molecular weight of 272.33 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diazabicyclo[3.2.2]nonan-2-yl)-6-fluoroquinazoline is sourced from PubChem (CID 70307993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).