N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide

C24H21N3O4 — CID 50793143

IUPACN-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)c1
InChIInChI=1S/C24H21N3O4/c1-15-8-7-9-16(12-15)22(28)25-18-13-19-20(27(3)24(30)23(29)26(19)2)14-21(18)31-17-10-5-4-6-11-17/h4-14H,1-3H3,(H,25,28)
InChIKeyZZNZFHXVFDBIBJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.59
Rot. Bonds4

About N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide

N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide (PubChem CID 50793143) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide
PubChem CID50793143
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)c1
InChIInChI=1S/C24H21N3O4/c1-15-8-7-9-16(12-15)22(28)25-18-13-19-20(27(3)24(30)23(29)26(19)2)14-21(18)31-17-10-5-4-6-11-17/h4-14H,1-3H3,(H,25,28)
InChIKeyZZNZFHXVFDBIBJ-UHFFFAOYSA-N
XLogP3.59
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.59
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

4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)benzamide
CID 50793171
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide
CID 50793144
1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797454
2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792962
3-cyclopentyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)propanamide
CID 50793159
1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797574
1-(5-chloro-2-methylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797513
N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide
CID 46341405
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
1-(4-bromo-3-methylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797464
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide (CID 50793143) is N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)c1.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide?
The InChIKey is ZZNZFHXVFDBIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-15-8-7-9-16(12-15)22(28)25-18-13-19-20(27(3)24(30)23(29)26(19)2)14-21(18)31-17-10-5-4-6-11-17/h4-14H,1-3H3,(H,25,28).
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide?
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide has a molecular weight of 415.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide is sourced from PubChem (CID 50793143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).