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

C16H16F3N3O2 — CID 35416833

IUPAC8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1nc(N2CCC3(CC2)OCCO3)c2ccccc2n1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)14-20-12-4-2-1-3-11(12)13(21-14)22-7-5-15(6-8-22)23-9-10-24-15/h1-4H,5-10H2
InChIKeyFHTNWDUMDZNQCO-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.99
Rot. Bonds1

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

8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 35416833) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID35416833
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1nc(N2CCC3(CC2)OCCO3)c2ccccc2n1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)14-20-12-4-2-1-3-11(12)13(21-14)22-7-5-15(6-8-22)23-9-10-24-15/h1-4H,5-10H2
InChIKeyFHTNWDUMDZNQCO-UHFFFAOYSA-N
XLogP2.99
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-(2-fluorophenyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 4523890
8-(3-chloroquinoxalin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2002727
8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 90461235
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-(trifluoromethyl)quinazoline
CID 71689078
(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide
CID 31256282
2,4-bis(4,4-difluoropiperidin-1-yl)quinazoline
CID 148519917
2-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 17448522
7-(2,1-benzothiazol-3-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131122940
2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 24606712
(5R)-2-(4-hydroxycyclohexyl)-9-[2-(trifluoromethyl)quinazolin-4-yl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653212
2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 17452952
8-[2-(3,4-dichlorophenyl)quinolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 90462752

Frequently Asked Questions

What is the IUPAC name of 8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 35416833) is 8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is FC(F)(F)c1nc(N2CCC3(CC2)OCCO3)c2ccccc2n1.
What is the InChIKey of 8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is FHTNWDUMDZNQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)14-20-12-4-2-1-3-11(12)13(21-14)22-7-5-15(6-8-22)23-9-10-24-15/h1-4H,5-10H2.
What are the key properties of 8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 339.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 35416833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).