(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone

C18H17N5O — CID 18153299

IUPAC(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)cn1
InChIInChI=1S/C18H17N5O/c1-12-7-8-13(11-19-12)18(24)23-10-9-22(2)16-17(23)21-15-6-4-3-5-14(15)20-16/h3-8,11H,9-10H2,1-2H3
InChIKeyXSYLZARODMJHFX-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.43
Rot. Bonds1

About (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone

(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 18153299) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone
PubChem CID18153299
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)cn1
InChIInChI=1S/C18H17N5O/c1-12-7-8-13(11-19-12)18(24)23-10-9-22(2)16-17(23)21-15-6-4-3-5-14(15)20-16/h3-8,11H,9-10H2,1-2H3
InChIKeyXSYLZARODMJHFX-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.43
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)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone (CID 18153299) is (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)cn1.
What is the InChIKey of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is XSYLZARODMJHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-7-8-13(11-19-12)18(24)23-10-9-22(2)16-17(23)21-15-6-4-3-5-14(15)20-16/h3-8,11H,9-10H2,1-2H3.
What are the key properties of (1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone?
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 319.37 g/mol, XLogP of 2.43, 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)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 18153299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).