1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione

C22H23N7O4 — CID 90559993

IUPAC1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CC(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)n(C)c1=O
InChIInChI=1S/C22H23N7O4/c1-26-20-19(21(31)27(2)22(26)32)29(13-24-20)12-18(30)28-9-7-14(8-10-28)33-17-11-23-15-5-3-4-6-16(15)25-17/h3-6,11,13-14H,7-10,12H2,1-2H3
InChIKeyIEWGNSYZPJDBNK-UHFFFAOYSA-N
MW449.47 g/mol
LogP0.45
Rot. Bonds4

About 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione

1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione (PubChem CID 90559993) has the molecular formula C22H23N7O4 and a molecular weight of 449.47 g/mol. Its IUPAC name is 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione
PubChem CID90559993
Molecular FormulaC22H23N7O4
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC Name1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CC(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)n(C)c1=O
InChIInChI=1S/C22H23N7O4/c1-26-20-19(21(31)27(2)22(26)32)29(13-24-20)12-18(30)28-9-7-14(8-10-28)33-17-11-23-15-5-3-4-6-16(15)25-17/h3-6,11,13-14H,7-10,12H2,1-2H3
InChIKeyIEWGNSYZPJDBNK-UHFFFAOYSA-N
XLogP0.45
TPSA117.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

1,3-dimethyl-7-[2-oxo-2-(3-quinolin-2-yloxyazetidin-1-yl)ethyl]purine-2,6-dione
CID 122250416
1,3-dimethyl-7-[2-oxo-2-(4-thiophen-3-ylpiperidin-1-yl)ethyl]purine-2,6-dione
CID 90522411
1,3-dimethyl-7-[2-oxo-2-[4-(triazol-1-yl)piperidin-1-yl]ethyl]purine-2,6-dione
CID 121151310
7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 46898190
ethyl 4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperazine-1-carboxylate
CID 1116251
2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
CID 90560034
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90559928
1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90560043
7-[2-[7-(furan-2-yl)-1,4-thiazepan-4-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 90632226
1,3-dimethyl-7-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-2-oxoethyl]purine-2,6-dione
CID 90592326
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90560033

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione (CID 90559993) is 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione is Cn1c(=O)c2c(ncn2CC(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione?
The InChIKey is IEWGNSYZPJDBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4/c1-26-20-19(21(31)27(2)22(26)32)29(13-24-20)12-18(30)28-9-7-14(8-10-28)33-17-11-23-15-5-3-4-6-16(15)25-17/h3-6,11,13-14H,7-10,12H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione?
1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione has a molecular weight of 449.47 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)ethyl]purine-2,6-dione is sourced from PubChem (CID 90559993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).