6-(trifluoromethoxy)-4aH-quinazolin-4-one

C9H5F3N2O2 — CID 73448865

IUPAC6-(trifluoromethoxy)-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(OC(F)(F)F)=CC12
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)16-5-1-2-7-6(3-5)8(15)14-4-13-7/h1-4,6H
InChIKeyUELGPHDKVBXONV-UHFFFAOYSA-N
MW230.15 g/mol
LogP1.60
Rot. Bonds1

About 6-(trifluoromethoxy)-4aH-quinazolin-4-one

6-(trifluoromethoxy)-4aH-quinazolin-4-one (PubChem CID 73448865) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6-(trifluoromethoxy)-4aH-quinazolin-4-one
PubChem CID73448865
Molecular FormulaC9H5F3N2O2
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Name6-(trifluoromethoxy)-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(OC(F)(F)F)=CC12
InChIInChI=1S/C9H5F3N2O2/c10-9(11,12)16-5-1-2-7-6(3-5)8(15)14-4-13-7/h1-4,6H
InChIKeyUELGPHDKVBXONV-UHFFFAOYSA-N
XLogP1.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6-methoxy-4aH-quinazolin-4-one
CID 72207288
7-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72733956
6-(trifluoromethyl)-4aH-quinazolin-4-one
CID 72737856
7-(trifluoromethoxy)-4aH-quinazolin-4-one
CID 76026790
5-fluoro-7-methoxy-4aH-quinazolin-4-one
CID 77309909
7-(difluoromethoxy)-6-methoxy-4aH-quinazolin-4-one
CID 178191001
6,7-dimethoxy-4aH-quinazolin-4-one
CID 71303885
7-methoxy-2-methyl-4aH-quinazolin-4-one
CID 73183698
6-iodo-7-methoxy-4aH-quinazolin-4-one
CID 73197381
2-chloro-7-methoxy-4aH-quinazolin-4-one
CID 76026646
7-methoxy-4aH-quinazolin-4-one
CID 76845686
6-ethoxy-4aH-quinazolin-4-one
CID 77620783

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-4aH-quinazolin-4-one?
The IUPAC name of 6-(trifluoromethoxy)-4aH-quinazolin-4-one (CID 73448865) is 6-(trifluoromethoxy)-4aH-quinazolin-4-one.
What is the SMILES notation for 6-(trifluoromethoxy)-4aH-quinazolin-4-one?
The canonical SMILES for 6-(trifluoromethoxy)-4aH-quinazolin-4-one is O=C1N=CN=C2C=CC(OC(F)(F)F)=CC12.
What is the InChIKey of 6-(trifluoromethoxy)-4aH-quinazolin-4-one?
The InChIKey is UELGPHDKVBXONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-9(11,12)16-5-1-2-7-6(3-5)8(15)14-4-13-7/h1-4,6H.
What are the key properties of 6-(trifluoromethoxy)-4aH-quinazolin-4-one?
6-(trifluoromethoxy)-4aH-quinazolin-4-one has a molecular weight of 230.15 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-4aH-quinazolin-4-one is sourced from PubChem (CID 73448865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).