4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide

C23H28N4O3 — CID 17252033

IUPAC4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
SMILESCN(C)c1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C23H28N4O3/c1-23(2,3)15-10-8-14(9-11-15)20(28)24-16-12-18-19(13-17(16)25(4)5)27(7)22(30)21(29)26(18)6/h8-13H,1-7H3,(H,24,28)
InChIKeyUWXYISRUMUORMA-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.85
Rot. Bonds3

About 4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide

4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide (PubChem CID 17252033) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
PubChem CID17252033
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
SMILESCN(C)c1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C23H28N4O3/c1-23(2,3)15-10-8-14(9-11-15)20(28)24-16-12-18-19(13-17(16)25(4)5)27(7)22(30)21(29)26(18)6/h8-13H,1-7H3,(H,24,28)
InChIKeyUWXYISRUMUORMA-UHFFFAOYSA-N
XLogP2.85
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792045
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792140
4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)benzamide
CID 50793171
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 17252034
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 17252021
4-tert-butyl-N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 35397459
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792040
N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 50824443
1-[6-(dimethylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-(thiolan-3-yl)urea
CID 72913286
N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765410
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide (CID 17252033) is 4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide is CN(C)c1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of 4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The InChIKey is UWXYISRUMUORMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-23(2,3)15-10-8-14(9-11-15)20(28)24-16-12-18-19(13-17(16)25(4)5)27(7)22(30)21(29)26(18)6/h8-13H,1-7H3,(H,24,28).
What are the key properties of 4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide is sourced from PubChem (CID 17252033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).