5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

C16H11F3N2O2 — CID 175724533

IUPAC5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESCOc1cc(C(F)(F)F)cc2c1cnc(=O)n2-c1ccccc1
InChIInChI=1S/C16H11F3N2O2/c1-23-14-8-10(16(17,18)19)7-13-12(14)9-20-15(22)21(13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyFJRFMSQBNZKCTB-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.41
Rot. Bonds2

About 5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 175724533) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID175724533
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESCOc1cc(C(F)(F)F)cc2c1cnc(=O)n2-c1ccccc1
InChIInChI=1S/C16H11F3N2O2/c1-23-14-8-10(16(17,18)19)7-13-12(14)9-20-15(22)21(13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyFJRFMSQBNZKCTB-UHFFFAOYSA-N
XLogP3.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 175724533) is 5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is COc1cc(C(F)(F)F)cc2c1cnc(=O)n2-c1ccccc1.
What is the InChIKey of 5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is FJRFMSQBNZKCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-23-14-8-10(16(17,18)19)7-13-12(14)9-20-15(22)21(13)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 320.27 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 175724533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).