3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione

C23H15FN4O3 — CID 53061368

IUPAC3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3nc(-c4ccccc4)no3)ccc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C23H15FN4O3/c24-17-9-6-14(7-10-17)13-28-22(29)18-11-8-16(12-19(18)25-23(28)30)21-26-20(27-31-21)15-4-2-1-3-5-15/h1-12H,13H2,(H,25,30)
InChIKeyWVDKEZLZXUMAJY-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.59
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione

3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione (PubChem CID 53061368) has the molecular formula C23H15FN4O3 and a molecular weight of 414.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione
PubChem CID53061368
Molecular FormulaC23H15FN4O3
Molecular Weight414.40 g/mol
Exact Mass414.11
IUPAC Name3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(-c3nc(-c4ccccc4)no3)ccc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C23H15FN4O3/c24-17-9-6-14(7-10-17)13-28-22(29)18-11-8-16(12-19(18)25-23(28)30)21-26-20(27-31-21)15-4-2-1-3-5-15/h1-12H,13H2,(H,25,30)
InChIKeyWVDKEZLZXUMAJY-UHFFFAOYSA-N
XLogP3.59
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061229
3-[(4-methylphenyl)methyl]-7-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061337
7-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methoxyethyl)-1H-quinazoline-2,4-dione
CID 53061281
3-[(2-fluorophenyl)methyl]-7-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061332
3-(3-phenylpropyl)-7-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061324
3-[(3-methoxyphenyl)methyl]-7-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061240
3-[(3-chlorophenyl)methyl]-7-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061366
3-(3-phenylpropyl)-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061322
7-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-phenylethyl)-1H-quinazoline-2,4-dione
CID 53061396
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
CID 27373586
3-benzyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261590

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione (CID 53061368) is 3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(-c3nc(-c4ccccc4)no3)ccc2c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione?
The InChIKey is WVDKEZLZXUMAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O3/c24-17-9-6-14(7-10-17)13-28-22(29)18-11-8-16(12-19(18)25-23(28)30)21-26-20(27-31-21)15-4-2-1-3-5-15/h1-12H,13H2,(H,25,30).
What are the key properties of 3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione?
3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione has a molecular weight of 414.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-7-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 53061368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).