3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one

C16H11F3N2O2 — CID 3970898

IUPAC3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3ccccc3c2=O)cc1
InChIInChI=1S/C16H11F3N2O2/c1-23-11-8-6-10(7-9-11)21-14(22)12-4-2-3-5-13(12)20-15(21)16(17,18)19/h2-9H,1H3
InChIKeyJVKLOLUXLGXUPW-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.41
Rot. Bonds2

About 3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one

3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one (PubChem CID 3970898) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
PubChem CID3970898
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3ccccc3c2=O)cc1
InChIInChI=1S/C16H11F3N2O2/c1-23-11-8-6-10(7-9-11)21-14(22)12-4-2-3-5-13(12)20-15(21)16(17,18)19/h2-9H,1H3
InChIKeyJVKLOLUXLGXUPW-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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Related Compounds

2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
CID 131874393
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
7-nitro-3-phenyl-2-(trifluoromethyl)quinazolin-4-one
CID 166447364
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5157462
[(1S)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-propylazanium
CID 7365239
2-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one (CID 3970898) is 3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one is COc1ccc(-n2c(C(F)(F)F)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one?
The InChIKey is JVKLOLUXLGXUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-23-11-8-6-10(7-9-11)21-14(22)12-4-2-3-5-13(12)20-15(21)16(17,18)19/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one?
3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-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 3-(4-methoxyphenyl)-2-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 3970898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).