8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one

C17H14BrN3O — CID 2874741

IUPAC8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one
SMILESO=C1CN2C(=Nc3ccc(Br)cc3C2c2ccccc2)CN1
InChIInChI=1S/C17H14BrN3O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)21-10-16(22)19-9-15(21)20-14/h1-8,17H,9-10H2,(H,19,22)
InChIKeyJHPQJNGILTVIRT-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.01
Rot. Bonds1

About 8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one

8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one (PubChem CID 2874741) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one.

Molecular Properties

Compound Name8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one
PubChem CID2874741
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one
SMILESO=C1CN2C(=Nc3ccc(Br)cc3C2c2ccccc2)CN1
InChIInChI=1S/C17H14BrN3O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)21-10-16(22)19-9-15(21)20-14/h1-8,17H,9-10H2,(H,19,22)
InChIKeyJHPQJNGILTVIRT-UHFFFAOYSA-N
XLogP3.01
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one?
The IUPAC name of 8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one (CID 2874741) is 8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one.
What is the SMILES notation for 8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one?
The canonical SMILES for 8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one is O=C1CN2C(=Nc3ccc(Br)cc3C2c2ccccc2)CN1.
What is the InChIKey of 8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one?
The InChIKey is JHPQJNGILTVIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)21-10-16(22)19-9-15(21)20-14/h1-8,17H,9-10H2,(H,19,22).
What are the key properties of 8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one?
8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one has a molecular weight of 356.22 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one is sourced from PubChem (CID 2874741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).