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

C17H14BrN3O — CID 1232533

IUPAC(6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one
SMILESO=C1CN2C(=Nc3ccc(Br)cc3[C@H]2c2ccccc2)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)/t17-/m1/s1
InChIKeyJHPQJNGILTVIRT-QGZVFWFLSA-N
MW356.22 g/mol
LogP3.01
Rot. Bonds1

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

(6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one (PubChem CID 1232533) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is (6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one.

Molecular Properties

Compound Name(6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one
PubChem CID1232533
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name(6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one
SMILESO=C1CN2C(=Nc3ccc(Br)cc3[C@H]2c2ccccc2)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)/t17-/m1/s1
InChIKeyJHPQJNGILTVIRT-QGZVFWFLSA-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

Analyze (6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one with MolForge

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Related Compounds

2-[(4R)-6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl]acetic acid
CID 2406906
7-bromo-5-phenyl-4-propyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 122635762
(5S)-7-bromo-4-ethylsulfonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 7046070
ethyl 2-[(4S)-6-bromo-2-(3-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 99796160
(5R)-7-bromo-4-pentanoyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 7012711
7-bromo-5-phenyl-4-(2-phenylbutanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 3390994
1-(7-bromo-5-phenyl-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)propan-1-one
CID 67354176
(5R)-7-bromo-4-(4-bromobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 1111440
ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 2870249
2-[(4S)-6-bromo-2-(4-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 1106483
2-[6-bromo-2-(4-bromophenyl)-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 3119177
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
CID 178090840

Frequently Asked Questions

What is the IUPAC name of (6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one?
The IUPAC name of (6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one (CID 1232533) is (6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one.
What is the SMILES notation for (6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one?
The canonical SMILES for (6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one is O=C1CN2C(=Nc3ccc(Br)cc3[C@H]2c2ccccc2)CN1.
What is the InChIKey of (6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one?
The InChIKey is JHPQJNGILTVIRT-QGZVFWFLSA-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)/t17-/m1/s1.
What are the key properties of (6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one?
(6R)-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 (6R)-8-bromo-6-phenyl-1,2,4,6-tetrahydropyrazino[2,1-b]quinazolin-3-one is sourced from PubChem (CID 1232533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).