3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone

C21H20N4O2 — CID 18153292

IUPAC3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCN1CCN(C(=O)C2COc3ccccc3C2)c2nc3ccccc3nc21
InChIInChI=1S/C21H20N4O2/c1-24-10-11-25(20-19(24)22-16-7-3-4-8-17(16)23-20)21(26)15-12-14-6-2-5-9-18(14)27-13-15/h2-9,15H,10-13H2,1H3
InChIKeyFWRSYGQDHSWHOA-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.66
Rot. Bonds1

About 3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone

3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (PubChem CID 18153292) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
PubChem CID18153292
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCN1CCN(C(=O)C2COc3ccccc3C2)c2nc3ccccc3nc21
InChIInChI=1S/C21H20N4O2/c1-24-10-11-25(20-19(24)22-16-7-3-4-8-17(16)23-20)21(26)15-12-14-6-2-5-9-18(14)27-13-15/h2-9,15H,10-13H2,1H3
InChIKeyFWRSYGQDHSWHOA-UHFFFAOYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 72844348
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874781
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
[(1S,2R)-2-methylcyclopropyl]-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)methanone
CID 27674184
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
3,4-dihydro-2H-chromen-3-yl-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 134022339
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (CID 18153292) is 3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is CN1CCN(C(=O)C2COc3ccccc3C2)c2nc3ccccc3nc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The InChIKey is FWRSYGQDHSWHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-24-10-11-25(20-19(24)22-16-7-3-4-8-17(16)23-20)21(26)15-12-14-6-2-5-9-18(14)27-13-15/h2-9,15H,10-13H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone has a molecular weight of 360.42 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is sourced from PubChem (CID 18153292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).