8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one

C15H20BrN3O — CID 84646678

IUPAC8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
SMILESCc1cc(Br)cc2c1N1CCNCC1C(=O)N2C(C)C
InChIInChI=1S/C15H20BrN3O/c1-9(2)19-12-7-11(16)6-10(3)14(12)18-5-4-17-8-13(18)15(19)20/h6-7,9,13,17H,4-5,8H2,1-3H3
InChIKeyPKEOZLFUMQZSAY-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.29
Rot. Bonds1

About 8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one

8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (PubChem CID 84646678) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one.

Molecular Properties

Compound Name8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
PubChem CID84646678
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
SMILESCc1cc(Br)cc2c1N1CCNCC1C(=O)N2C(C)C
InChIInChI=1S/C15H20BrN3O/c1-9(2)19-12-7-11(16)6-10(3)14(12)18-5-4-17-8-13(18)15(19)20/h6-7,9,13,17H,4-5,8H2,1-3H3
InChIKeyPKEOZLFUMQZSAY-UHFFFAOYSA-N
XLogP2.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84632015
9-bromo-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84645293
7-chloro-9-methyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84634517
1-(5-bromo-2-fluorophenyl)-2-propan-2-ylpiperazine
CID 64937670
4-chloro-5,8-dimethyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 167173799
1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
CID 64931294
10-ethyl-6-methyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84632006
6-ethyl-8,10-dimethyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84632073
1-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpiperazine
CID 107594272
10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84640093
7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84626661
2-(4-bromo-2,6-dimethylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914587

Frequently Asked Questions

What is the IUPAC name of 8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The IUPAC name of 8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (CID 84646678) is 8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one.
What is the SMILES notation for 8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The canonical SMILES for 8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one is Cc1cc(Br)cc2c1N1CCNCC1C(=O)N2C(C)C.
What is the InChIKey of 8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The InChIKey is PKEOZLFUMQZSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-9(2)19-12-7-11(16)6-10(3)14(12)18-5-4-17-8-13(18)15(19)20/h6-7,9,13,17H,4-5,8H2,1-3H3.
What are the key properties of 8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one has a molecular weight of 338.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-10-methyl-6-propan-2-yl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one is sourced from PubChem (CID 84646678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).