2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione

C21H21N3O3 — CID 15836279

IUPAC2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESCCOc1ccc(N2C(=O)C(C)n3c(nc4ccccc4c3=O)C2C)cc1
InChIInChI=1S/C21H21N3O3/c1-4-27-16-11-9-15(10-12-16)23-13(2)19-22-18-8-6-5-7-17(18)21(26)24(19)14(3)20(23)25/h5-14H,4H2,1-3H3
InChIKeyJTUQBLYENJGYJW-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.46
Rot. Bonds3

About 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione

2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 15836279) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID15836279
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
SMILESCCOc1ccc(N2C(=O)C(C)n3c(nc4ccccc4c3=O)C2C)cc1
InChIInChI=1S/C21H21N3O3/c1-4-27-16-11-9-15(10-12-16)23-13(2)19-22-18-8-6-5-7-17(18)21(26)24(19)14(3)20(23)25/h5-14H,4H2,1-3H3
InChIKeyJTUQBLYENJGYJW-UHFFFAOYSA-N
XLogP3.46
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4S)-4-methyl-2-phenyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 23249763
2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
CID 71652489
2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
CID 58601638
(1S,4R)-1-methoxy-4-methyl-2-(2-phenylethyl)-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10992108
3-(4-ethoxyphenyl)-2-[(1S)-1-(methylamino)ethyl]quinazolin-4-one
CID 769872
(1R,4S)-1-(4-methoxybenzoyl)-2-[(4-methoxyphenyl)methyl]-4-methyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 102116155
(1S,2S)-1-(4-methoxyphenyl)-2-methyl-1,2-dihydroazeto[2,1-b]quinazolin-8-one
CID 100923623
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
3-(4-ethoxyphenyl)-2-(3-phenylpropylsulfanyl)quinazolin-4-one
CID 7857006
3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one
CID 112757927
2-[2-(4-chlorophenoxy)ethylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one
CID 4566776
(1R,4S)-2-benzyl-4-methyl-1-prop-2-enyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10498676

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione (CID 15836279) is 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is CCOc1ccc(N2C(=O)C(C)n3c(nc4ccccc4c3=O)C2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is JTUQBLYENJGYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-4-27-16-11-9-15(10-12-16)23-13(2)19-22-18-8-6-5-7-17(18)21(26)24(19)14(3)20(23)25/h5-14H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione?
2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 363.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1,4-dimethyl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 15836279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).