8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C21H20FN3O2 — CID 4523890

IUPAC8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccccc1-c1nc(N2CCC3(CC2)OCCO3)c2ccccc2n1
InChIInChI=1S/C21H20FN3O2/c22-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(24-19)25-11-9-21(10-12-25)26-13-14-27-21/h1-8H,9-14H2
InChIKeyGOAOPLUQCTXJDA-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.78
Rot. Bonds2

About 8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 4523890) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID4523890
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccccc1-c1nc(N2CCC3(CC2)OCCO3)c2ccccc2n1
InChIInChI=1S/C21H20FN3O2/c22-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(24-19)25-11-9-21(10-12-25)26-13-14-27-21/h1-8H,9-14H2
InChIKeyGOAOPLUQCTXJDA-UHFFFAOYSA-N
XLogP3.78
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 4523890) is 8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccccc1-c1nc(N2CCC3(CC2)OCCO3)c2ccccc2n1.
What is the InChIKey of 8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is GOAOPLUQCTXJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(24-19)25-11-9-21(10-12-25)26-13-14-27-21/h1-8H,9-14H2.
What are the key properties of 8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 365.41 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 4523890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).