N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C17H20N6 — CID 72709267

IUPACN-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESc1ccc2c(NC3=NCC4(CN5CCC4CC5)N3)ncnc2c1
InChIInChI=1S/C17H20N6/c1-2-4-14-13(3-1)15(20-11-19-14)21-16-18-9-17(22-16)10-23-7-5-12(17)6-8-23/h1-4,11-12H,5-10H2,(H2,18,19,20,21,22)
InChIKeyBYODFSOMIWWCOB-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.47
Rot. Bonds1

About N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 72709267) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound NameN-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID72709267
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESc1ccc2c(NC3=NCC4(CN5CCC4CC5)N3)ncnc2c1
InChIInChI=1S/C17H20N6/c1-2-4-14-13(3-1)15(20-11-19-14)21-16-18-9-17(22-16)10-23-7-5-12(17)6-8-23/h1-4,11-12H,5-10H2,(H2,18,19,20,21,22)
InChIKeyBYODFSOMIWWCOB-UHFFFAOYSA-N
XLogP1.47
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 72709267) is N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is c1ccc2c(NC3=NCC4(CN5CCC4CC5)N3)ncnc2c1.
What is the InChIKey of N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is BYODFSOMIWWCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-4-14-13(3-1)15(20-11-19-14)21-16-18-9-17(22-16)10-23-7-5-12(17)6-8-23/h1-4,11-12H,5-10H2,(H2,18,19,20,21,22).
What are the key properties of N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 308.39 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinazolin-4-ylspiro[1,4-dihydroimidazole-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 72709267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).