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

C20H20N4O2 — CID 30372626

IUPAC(3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(C)c3nc4ccccc4nc32)ccc1C
InChIInChI=1S/C20H20N4O2/c1-13-8-9-14(12-17(13)26-3)20(25)24-11-10-23(2)18-19(24)22-16-7-5-4-6-15(16)21-18/h4-9,12H,10-11H2,1-3H3
InChIKeyNASHYOGNLCJWBP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.04
Rot. Bonds2

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

(3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (PubChem CID 30372626) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
PubChem CID30372626
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(C)c3nc4ccccc4nc32)ccc1C
InChIInChI=1S/C20H20N4O2/c1-13-8-9-14(12-17(13)26-3)20(25)24-11-10-23(2)18-19(24)22-16-7-5-4-6-15(16)21-18/h4-9,12H,10-11H2,1-3H3
InChIKeyNASHYOGNLCJWBP-UHFFFAOYSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16609632
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 18153299
(4-ethylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16623333
(2-fluoro-4-methoxyphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 24628039
(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
(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-(3-methylphenyl)methanone
CID 9192955
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 16623432
3-(2-methoxyphenyl)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)propan-1-one
CID 16623449
(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-(5-methylthiophen-2-yl)methanone
CID 16623282
(2,5-dichlorophenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone
CID 16609536
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The IUPAC name of (3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone (CID 30372626) is (3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The canonical SMILES for (3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is COc1cc(C(=O)N2CCN(C)c3nc4ccccc4nc32)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
The InChIKey is NASHYOGNLCJWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-8-9-14(12-17(13)26-3)20(25)24-11-10-23(2)18-19(24)22-16-7-5-4-6-15(16)21-18/h4-9,12H,10-11H2,1-3H3.
What are the key properties of (3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone?
(3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)methanone is sourced from PubChem (CID 30372626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).