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

C23H18FN3O4 — CID 50793144

IUPACN-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide
SMILESCn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccccc3F)cc21
InChIInChI=1S/C23H18FN3O4/c1-26-18-12-17(25-21(28)15-10-6-7-11-16(15)24)20(31-14-8-4-3-5-9-14)13-19(18)27(2)23(30)22(26)29/h3-13H,1-2H3,(H,25,28)
InChIKeySFXYPUSFWCBBBQ-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.42
Rot. Bonds4

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

N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide (PubChem CID 50793144) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide
PubChem CID50793144
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide
SMILESCn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccccc3F)cc21
InChIInChI=1S/C23H18FN3O4/c1-26-18-12-17(25-21(28)15-10-6-7-11-16(15)24)20(31-14-8-4-3-5-9-14)13-19(18)27(2)23(30)22(26)29/h3-13H,1-2H3,(H,25,28)
InChIKeySFXYPUSFWCBBBQ-UHFFFAOYSA-N
XLogP3.42
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.42
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)-3-methylbenzamide
CID 50793143
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
N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide
CID 46341405
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
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
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide
CID 50793043
dimethyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
CID 10320091

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide (CID 50793144) is N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide is Cn1c(=O)c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)c3ccccc3F)cc21.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide?
The InChIKey is SFXYPUSFWCBBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-26-18-12-17(25-21(28)15-10-6-7-11-16(15)24)20(31-14-8-4-3-5-9-14)13-19(18)27(2)23(30)22(26)29/h3-13H,1-2H3,(H,25,28).
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide?
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide has a molecular weight of 419.41 g/mol, XLogP of 3.42, 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)-2-fluorobenzamide is sourced from PubChem (CID 50793144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).