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

C17H16N4OS — CID 16623282

IUPAC(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)s1
InChIInChI=1S/C17H16N4OS/c1-11-7-8-14(23-11)17(22)21-10-9-20(2)15-16(21)19-13-6-4-3-5-12(13)18-15/h3-8H,9-10H2,1-2H3
InChIKeySPKONVFOICOISC-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.10
Rot. Bonds1

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

(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 16623282) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID16623282
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)s1
InChIInChI=1S/C17H16N4OS/c1-11-7-8-14(23-11)17(22)21-10-9-20(2)15-16(21)19-13-6-4-3-5-12(13)18-15/h3-8H,9-10H2,1-2H3
InChIKeySPKONVFOICOISC-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone (CID 16623282) is (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)s1.
What is the InChIKey of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is SPKONVFOICOISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11-7-8-14(23-11)17(22)21-10-9-20(2)15-16(21)19-13-6-4-3-5-12(13)18-15/h3-8H,9-10H2,1-2H3.
What are the key properties of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone?
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 324.41 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 16623282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).