4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline

C16H17F3N4O — CID 175930530

IUPAC4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline
SMILESFC(F)(F)Oc1ccc2ncnc(N3CCC4(CC3)CNC4)c2c1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)24-11-1-2-13-12(7-11)14(22-10-21-13)23-5-3-15(4-6-23)8-20-9-15/h1-2,7,10,20H,3-6,8-9H2
InChIKeyUWBISMWHNPPCDF-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.72
Rot. Bonds2

About 4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline

4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline (PubChem CID 175930530) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline.

Molecular Properties

Compound Name4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline
PubChem CID175930530
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline
SMILESFC(F)(F)Oc1ccc2ncnc(N3CCC4(CC3)CNC4)c2c1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)24-11-1-2-13-12(7-11)14(22-10-21-13)23-5-3-15(4-6-23)8-20-9-15/h1-2,7,10,20H,3-6,8-9H2
InChIKeyUWBISMWHNPPCDF-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 2-[6-(trifluoromethoxy)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 175893129
6-(trifluoromethoxy)quinazolin-4-amine
CID 156900146
4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
1-(6-sulfanyloxyquinazolin-4-yl)azetidin-3-amine
CID 123175816
2-[4-(trifluoromethoxy)phenyl]-2,6-diazaspiro[3.3]heptane
CID 135192815
1-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 133497655
4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
CID 136520741
(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-2-[[7-(trifluoromethoxy)quinazolin-4-yl]amino]propan-1-one
CID 178127044
4-[6-[4-(1-cyanocyclopropyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 90115039
4-(4,4-dimethylazepan-1-yl)quinazolin-6-amine
CID 65283622
1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol
CID 107403605
(2R)-1-(5-azaspiro[2.4]heptan-5-yl)-3-hydroxy-2-[[7-(trifluoromethoxy)quinazolin-4-yl]amino]propan-1-one
CID 178126575

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline?
The IUPAC name of 4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline (CID 175930530) is 4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline.
What is the SMILES notation for 4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline?
The canonical SMILES for 4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline is FC(F)(F)Oc1ccc2ncnc(N3CCC4(CC3)CNC4)c2c1.
What is the InChIKey of 4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline?
The InChIKey is UWBISMWHNPPCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-1-2-13-12(7-11)14(22-10-21-13)23-5-3-15(4-6-23)8-20-9-15/h1-2,7,10,20H,3-6,8-9H2.
What are the key properties of 4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline?
4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline has a molecular weight of 338.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-(trifluoromethoxy)quinazoline is sourced from PubChem (CID 175930530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).