6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one

C17H10BrFN4O2 — CID 18195268

IUPAC6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H10BrFN4O2/c18-11-3-6-14-13(7-11)17(24)23(9-20-14)8-15-21-16(22-25-15)10-1-4-12(19)5-2-10/h1-7,9H,8H2
InChIKeyNWWYRNPNUIQOLP-UHFFFAOYSA-N
MW401.20 g/mol
LogP3.40
Rot. Bonds3

About 6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one

6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one (PubChem CID 18195268) has the molecular formula C17H10BrFN4O2 and a molecular weight of 401.20 g/mol. Its IUPAC name is 6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
PubChem CID18195268
Molecular FormulaC17H10BrFN4O2
Molecular Weight401.20 g/mol
Exact Mass400.00
IUPAC Name6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C17H10BrFN4O2/c18-11-3-6-14-13(7-11)17(24)23(9-20-14)8-15-21-16(22-25-15)10-1-4-12(19)5-2-10/h1-7,9H,8H2
InChIKeyNWWYRNPNUIQOLP-UHFFFAOYSA-N
XLogP3.40
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.20
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one (CID 18195268) is 6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one is O=c1c2cc(Br)ccc2ncn1Cc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one?
The InChIKey is NWWYRNPNUIQOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFN4O2/c18-11-3-6-14-13(7-11)17(24)23(9-20-14)8-15-21-16(22-25-15)10-1-4-12(19)5-2-10/h1-7,9H,8H2.
What are the key properties of 6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one?
6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one has a molecular weight of 401.20 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 18195268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).