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

C14H11BrN4O2 — CID 78961073

IUPAC7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1Cc1noc(C2CC2)n1
InChIInChI=1S/C14H11BrN4O2/c15-9-3-4-10-11(5-9)16-7-19(14(10)20)6-12-17-13(21-18-12)8-1-2-8/h3-5,7-8H,1-2,6H2
InChIKeyIOKQQWZEEZILBQ-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.47
Rot. Bonds3

About 7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one

7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one (PubChem CID 78961073) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
PubChem CID78961073
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
SMILESO=c1c2ccc(Br)cc2ncn1Cc1noc(C2CC2)n1
InChIInChI=1S/C14H11BrN4O2/c15-9-3-4-10-11(5-9)16-7-19(14(10)20)6-12-17-13(21-18-12)8-1-2-8/h3-5,7-8H,1-2,6H2
InChIKeyIOKQQWZEEZILBQ-UHFFFAOYSA-N
XLogP2.47
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one (CID 78961073) is 7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one is O=c1c2ccc(Br)cc2ncn1Cc1noc(C2CC2)n1.
What is the InChIKey of 7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The InChIKey is IOKQQWZEEZILBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c15-9-3-4-10-11(5-9)16-7-19(14(10)20)6-12-17-13(21-18-12)8-1-2-8/h3-5,7-8H,1-2,6H2.
What are the key properties of 7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one has a molecular weight of 347.17 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 78961073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).