8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione

C16H16N4O4 — CID 102119190

IUPAC8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione
SMILESCOc1ccc(CN2CC(=O)Nc3nccnc3C2=O)c(OC)c1
InChIInChI=1S/C16H16N4O4/c1-23-11-4-3-10(12(7-11)24-2)8-20-9-13(21)19-15-14(16(20)22)17-5-6-18-15/h3-7H,8-9H2,1-2H3,(H,18,19,21)
InChIKeyXTURHPUJSKVSIR-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.09
Rot. Bonds4

About 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione

8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione (PubChem CID 102119190) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione.

Molecular Properties

Compound Name8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione
PubChem CID102119190
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione
SMILESCOc1ccc(CN2CC(=O)Nc3nccnc3C2=O)c(OC)c1
InChIInChI=1S/C16H16N4O4/c1-23-11-4-3-10(12(7-11)24-2)8-20-9-13(21)19-15-14(16(20)22)17-5-6-18-15/h3-7H,8-9H2,1-2H3,(H,18,19,21)
InChIKeyXTURHPUJSKVSIR-UHFFFAOYSA-N
XLogP1.09
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione with MolForge

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Related Compounds

4-[(4-methoxyphenyl)methyl]-1,3-dihydropyrido[3,2-e][1,4]diazepine-2,5-dione
CID 102432545
1-[(2-bromo-5-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 65326183
N-[7-[(2,4-dimethoxyphenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 58836665
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-4-methylpyrrolidin-2-one
CID 131734574
2-bromo-5-[(2,4-dimethoxyphenyl)methyl]-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
CID 178129815
6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 125462040
1-[(2,4-dimethoxyphenyl)methyl]-4-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperazine-2,3-dione;hydrochloride
CID 139953981
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
4-[6-[(2,4-dimethoxyphenyl)methyl]-7-oxo-2,6,12-triazatricyclo[6.3.1.04,12]dodeca-1,3,8,10-tetraen-3-yl]benzonitrile
CID 68640530
5-[(2,4-dimethoxyphenyl)methyl]-8-methoxy-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 123232811

Frequently Asked Questions

What is the IUPAC name of 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione?
The IUPAC name of 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione (CID 102119190) is 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione.
What is the SMILES notation for 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione?
The canonical SMILES for 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione is COc1ccc(CN2CC(=O)Nc3nccnc3C2=O)c(OC)c1.
What is the InChIKey of 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione?
The InChIKey is XTURHPUJSKVSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-23-11-4-3-10(12(7-11)24-2)8-20-9-13(21)19-15-14(16(20)22)17-5-6-18-15/h3-7H,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione?
8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione has a molecular weight of 328.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione is sourced from PubChem (CID 102119190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).