3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione

C16H11F3N2O3 — CID 66572213

IUPAC3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)n1OCc1ccccc1
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)11-6-7-12-13(8-11)20-15(23)21(14(12)22)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,23)
InChIKeyQSLRPPGDIQMEQK-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.34
Rot. Bonds3

About 3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione

3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 66572213) has the molecular formula C16H11F3N2O3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID66572213
Molecular FormulaC16H11F3N2O3
Molecular Weight336.27 g/mol
Exact Mass336.07
IUPAC Name3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)n1OCc1ccccc1
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)11-6-7-12-13(8-11)20-15(23)21(14(12)22)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,23)
InChIKeyQSLRPPGDIQMEQK-UHFFFAOYSA-N
XLogP2.34
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 2545714
3-(pyrrolidin-2-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262841
3-(pyrrolidin-3-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262875
3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261194
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590
3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262896
3-benzyl-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061229
3-(3-phenylpropyl)-7-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061324
3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261468
3-(2,3-dihydro-1H-inden-2-yl)-2-sulfanylidene-7-(trifluoromethyl)-1H-quinazolin-4-one
CID 90359324
3-(phenylmethoxymethyl)-1H-quinazoline-2,4-dione
CID 139951410
2,3-dioxo-4-phenylmethoxy-7-(trifluoromethyl)-1H-quinoxaline-6-carbonitrile
CID 19421405

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 66572213) is 3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)n1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is QSLRPPGDIQMEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3/c17-16(18,19)11-6-7-12-13(8-11)20-15(23)21(14(12)22)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,23).
What are the key properties of 3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 336.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 66572213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).