6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine

C18H14BrN5O — CID 133363919

IUPAC6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2ccc(Br)cc12)c1noc(-c2ccccc2)n1
InChIInChI=1S/C18H14BrN5O/c1-11(16-23-18(25-24-16)12-5-3-2-4-6-12)22-17-14-9-13(19)7-8-15(14)20-10-21-17/h2-11H,1H3,(H,20,21,22)
InChIKeyPLJIJWXDLNTCCW-UHFFFAOYSA-N
MW396.25 g/mol
LogP4.62
Rot. Bonds4

About 6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine

6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine (PubChem CID 133363919) has the molecular formula C18H14BrN5O and a molecular weight of 396.25 g/mol. Its IUPAC name is 6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine
PubChem CID133363919
Molecular FormulaC18H14BrN5O
Molecular Weight396.25 g/mol
Exact Mass395.04
IUPAC Name6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine
SMILESCC(Nc1ncnc2ccc(Br)cc12)c1noc(-c2ccccc2)n1
InChIInChI=1S/C18H14BrN5O/c1-11(16-23-18(25-24-16)12-5-3-2-4-6-12)22-17-14-9-13(19)7-8-15(14)20-10-21-17/h2-11H,1H3,(H,20,21,22)
InChIKeyPLJIJWXDLNTCCW-UHFFFAOYSA-N
XLogP4.62
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine (CID 133363919) is 6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine is CC(Nc1ncnc2ccc(Br)cc12)c1noc(-c2ccccc2)n1.
What is the InChIKey of 6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is PLJIJWXDLNTCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O/c1-11(16-23-18(25-24-16)12-5-3-2-4-6-12)22-17-14-9-13(19)7-8-15(14)20-10-21-17/h2-11H,1H3,(H,20,21,22).
What are the key properties of 6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine?
6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 396.25 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 133363919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).