N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide

C23H28N4O4 — CID 50792273

IUPACN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide
SMILESCCN(CC)c1cc2c(cc1NC(=O)Cc1ccc(OC)cc1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C23H28N4O4/c1-6-27(7-2)18-14-20-19(25(3)22(29)23(30)26(20)4)13-17(18)24-21(28)12-15-8-10-16(31-5)11-9-15/h8-11,13-14H,6-7,12H2,1-5H3,(H,24,28)
InChIKeyWGVPJPMFMIRRMH-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.27
Rot. Bonds7

About N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide

N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 50792273) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID50792273
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide
SMILESCCN(CC)c1cc2c(cc1NC(=O)Cc1ccc(OC)cc1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C23H28N4O4/c1-6-27(7-2)18-14-20-19(25(3)22(29)23(30)26(20)4)13-17(18)24-21(28)12-15-8-10-16(31-5)11-9-15/h8-11,13-14H,6-7,12H2,1-5H3,(H,24,28)
InChIKeyWGVPJPMFMIRRMH-UHFFFAOYSA-N
XLogP2.27
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide (CID 50792273) is N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide is CCN(CC)c1cc2c(cc1NC(=O)Cc1ccc(OC)cc1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is WGVPJPMFMIRRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-6-27(7-2)18-14-20-19(25(3)22(29)23(30)26(20)4)13-17(18)24-21(28)12-15-8-10-16(31-5)11-9-15/h8-11,13-14H,6-7,12H2,1-5H3,(H,24,28).
What are the key properties of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide?
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 424.50 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 50792273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).