4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

C19H15F3N2O2 — CID 158280060

IUPAC4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(CC2COC2)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)13-6-7-15-16(8-12-10-26-11-12)23-18(25)24(17(15)9-13)14-4-2-1-3-5-14/h1-7,9,12H,8,10-11H2
InChIKeyGKCGOPUWXXYLEZ-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.59
Rot. Bonds3

About 4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 158280060) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID158280060
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(CC2COC2)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)13-6-7-15-16(8-12-10-26-11-12)23-18(25)24(17(15)9-13)14-4-2-1-3-5-14/h1-7,9,12H,8,10-11H2
InChIKeyGKCGOPUWXXYLEZ-UHFFFAOYSA-N
XLogP3.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-2-fluorocyclopropyl]methyl]-5-methyl-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
CID 158686890
5-fluoro-4-[[(1S,2S)-2-fluorocyclopropyl]methyl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
CID 160964914
4-(2-methoxyethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
CID 150809357
7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one
CID 149172130
1-(3-aminophenyl)-4-(dimethylamino)-7-(trifluoromethyl)quinazolin-2-one
CID 169238126
3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]oxetane
CID 73425037
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one
CID 154929319
5-methoxy-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
CID 175724533
9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole
CID 90277489
cyclopropyl 4-amino-2-oxo-1-phenyl-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207141
9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138749634
3,6-ditert-butyl-10-phenylacridin-9-one
CID 139036050

Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 158280060) is 4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is O=c1nc(CC2COC2)c2ccc(C(F)(F)F)cc2n1-c1ccccc1.
What is the InChIKey of 4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is GKCGOPUWXXYLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)13-6-7-15-16(8-12-10-26-11-12)23-18(25)24(17(15)9-13)14-4-2-1-3-5-14/h1-7,9,12H,8,10-11H2.
What are the key properties of 4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 360.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 158280060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).