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

C19H17FN4O2 — CID 24628039

IUPAC(2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)c(F)c1
InChIInChI=1S/C19H17FN4O2/c1-23-9-10-24(19(25)13-8-7-12(26-2)11-14(13)20)18-17(23)21-15-5-3-4-6-16(15)22-18/h3-8,11H,9-10H2,1-2H3
InChIKeyVQJXLVKHOVXSPQ-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.87
Rot. Bonds2

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

(2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (PubChem CID 24628039) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
PubChem CID24628039
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name(2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)c(F)c1
InChIInChI=1S/C19H17FN4O2/c1-23-9-10-24(19(25)13-8-7-12(26-2)11-14(13)20)18-17(23)21-15-5-3-4-6-16(15)22-18/h3-8,11H,9-10H2,1-2H3
InChIKeyVQJXLVKHOVXSPQ-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromo-5-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16623443
(2,4-dimethoxyphenyl)-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)methanone
CID 27674177
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16609536
(3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 30372626
(E)-3-(3,5-dimethoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)prop-2-en-1-one
CID 18153290
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
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
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 16609634
1-(2-fluorophenyl)-6-methyl-3-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxaline-4-carbonyl)pyridazin-4-one
CID 18153287
(2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 107676708
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 18153299

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (CID 24628039) is (2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is COc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The InChIKey is VQJXLVKHOVXSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-23-9-10-24(19(25)13-8-7-12(26-2)11-14(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-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
(2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone has a molecular weight of 352.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is sourced from PubChem (CID 24628039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).