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

C19H17FN4O — CID 16609632

IUPAC(3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)cc1F
InChIInChI=1S/C19H17FN4O/c1-12-7-8-13(11-14(12)20)19(25)24-10-9-23(2)17-18(24)22-16-6-4-3-5-15(16)21-17/h3-8,11H,9-10H2,1-2H3
InChIKeyMZXGPJYLOMPMJB-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.17
Rot. Bonds1

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

(3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (PubChem CID 16609632) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
PubChem CID16609632
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name(3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)cc1F
InChIInChI=1S/C19H17FN4O/c1-12-7-8-13(11-14(12)20)19(25)24-10-9-23(2)17-18(24)22-16-6-4-3-5-15(16)21-17/h3-8,11H,9-10H2,1-2H3
InChIKeyMZXGPJYLOMPMJB-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (CID 16609632) is (3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is Cc1ccc(C(=O)N2CCN(C)c3nc4ccccc4nc32)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The InChIKey is MZXGPJYLOMPMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12-7-8-13(11-14(12)20)19(25)24-10-9-23(2)17-18(24)22-16-6-4-3-5-15(16)21-17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
(3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone has a molecular weight of 336.37 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is sourced from PubChem (CID 16609632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).