(2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone

C19H17BrN4O2 — CID 16623443

IUPAC(2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCN(C)c3nc4ccccc4nc32)c1
InChIInChI=1S/C19H17BrN4O2/c1-23-9-10-24(19(25)13-11-12(26-2)7-8-14(13)20)18-17(23)21-15-5-3-4-6-16(15)22-18/h3-8,11H,9-10H2,1-2H3
InChIKeyJJAQQIHWSJLQAZ-UHFFFAOYSA-N
MW413.28 g/mol
LogP3.50
Rot. Bonds2

About (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone

(2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (PubChem CID 16623443) has the molecular formula C19H17BrN4O2 and a molecular weight of 413.28 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
PubChem CID16623443
Molecular FormulaC19H17BrN4O2
Molecular Weight413.28 g/mol
Exact Mass412.05
IUPAC Name(2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCOc1ccc(Br)c(C(=O)N2CCN(C)c3nc4ccccc4nc32)c1
InChIInChI=1S/C19H17BrN4O2/c1-23-9-10-24(19(25)13-11-12(26-2)7-8-14(13)20)18-17(23)21-15-5-3-4-6-16(15)22-18/h3-8,11H,9-10H2,1-2H3
InChIKeyJJAQQIHWSJLQAZ-UHFFFAOYSA-N
XLogP3.50
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone with MolForge

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 24628039
(2,4-dimethoxyphenyl)-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)methanone
CID 27674177
(2-bromophenyl)-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)methanone
CID 9192921
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16609536
(E)-3-(3,5-dimethoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)prop-2-en-1-one
CID 18153290
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxyethanone
CID 16623303
(4-ethylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16623333
(3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16609632
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 18153299
3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one
CID 16623449
2-(4-ethylphenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone
CID 16623384
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-4-(4-methylphenoxy)butan-1-one
CID 16609575

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (CID 16623443) is (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is COc1ccc(Br)c(C(=O)N2CCN(C)c3nc4ccccc4nc32)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The InChIKey is JJAQQIHWSJLQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O2/c1-23-9-10-24(19(25)13-11-12(26-2)7-8-14(13)20)18-17(23)21-15-5-3-4-6-16(15)22-18/h3-8,11H,9-10H2,1-2H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
(2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone has a molecular weight of 413.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is sourced from PubChem (CID 16623443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).