2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone

C16H14F3N3O2 — CID 162492973

IUPAC2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone
SMILESO=C(N1CC2(CC(Oc3ncnc4ccccc34)C2)C1)C(F)(F)F
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)14(23)22-7-15(8-22)5-10(6-15)24-13-11-3-1-2-4-12(11)20-9-21-13/h1-4,9-10H,5-8H2
InChIKeyLFOYLMIEGACHKV-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.56
Rot. Bonds2

About 2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone

2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone (PubChem CID 162492973) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone
PubChem CID162492973
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone
SMILESO=C(N1CC2(CC(Oc3ncnc4ccccc34)C2)C1)C(F)(F)F
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)14(23)22-7-15(8-22)5-10(6-15)24-13-11-3-1-2-4-12(11)20-9-21-13/h1-4,9-10H,5-8H2
InChIKeyLFOYLMIEGACHKV-UHFFFAOYSA-N
XLogP2.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone (CID 162492973) is 2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone is O=C(N1CC2(CC(Oc3ncnc4ccccc34)C2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone?
The InChIKey is LFOYLMIEGACHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)14(23)22-7-15(8-22)5-10(6-15)24-13-11-3-1-2-4-12(11)20-9-21-13/h1-4,9-10H,5-8H2.
What are the key properties of 2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone?
2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone has a molecular weight of 337.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-quinazolin-4-yloxy-2-azaspiro[3.3]heptan-2-yl)ethanone is sourced from PubChem (CID 162492973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).