2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide

C25H22ClN3O5 — CID 50792962

IUPAC2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
SMILESCCOc1ccc(Oc2cc3c(cc2NC(=O)c2ccccc2Cl)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C25H22ClN3O5/c1-4-33-15-9-11-16(12-10-15)34-22-14-21-20(28(2)24(31)25(32)29(21)3)13-19(22)27-23(30)17-7-5-6-8-18(17)26/h5-14H,4H2,1-3H3,(H,27,30)
InChIKeyWABDFIDEWHTSDW-UHFFFAOYSA-N
MW479.92 g/mol
LogP4.33
Rot. Bonds6

About 2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide

2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide (PubChem CID 50792962) has the molecular formula C25H22ClN3O5 and a molecular weight of 479.92 g/mol. Its IUPAC name is 2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
PubChem CID50792962
Molecular FormulaC25H22ClN3O5
Molecular Weight479.92 g/mol
Exact Mass479.12
IUPAC Name2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
SMILESCCOc1ccc(Oc2cc3c(cc2NC(=O)c2ccccc2Cl)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C25H22ClN3O5/c1-4-33-15-9-11-16(12-10-15)34-22-14-21-20(28(2)24(31)25(32)29(21)3)13-19(22)27-23(30)17-7-5-6-8-18(17)26/h5-14H,4H2,1-3H3,(H,27,30)
InChIKeyWABDFIDEWHTSDW-UHFFFAOYSA-N
XLogP4.33
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-2-fluorobenzamide
CID 50793144
N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-fluorophenyl)acetamide
CID 50793043
2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792040
N-[2-(4-ethoxyphenoxy)phenyl]-2-iodobenzamide
CID 26243693
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-[2-(4-ethoxyphenoxy)phenyl]-4-nitrobenzamide
CID 8873797
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
N-[7-(4-methoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]furan-2-carboxamide
CID 46341405
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-fluorobenzenesulfonamide
CID 50793045
2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 50793038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The IUPAC name of 2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide (CID 50792962) is 2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide is CCOc1ccc(Oc2cc3c(cc2NC(=O)c2ccccc2Cl)n(C)c(=O)c(=O)n3C)cc1.
What is the InChIKey of 2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The InChIKey is WABDFIDEWHTSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O5/c1-4-33-15-9-11-16(12-10-15)34-22-14-21-20(28(2)24(31)25(32)29(21)3)13-19(22)27-23(30)17-7-5-6-8-18(17)26/h5-14H,4H2,1-3H3,(H,27,30).
What are the key properties of 2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide has a molecular weight of 479.92 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide is sourced from PubChem (CID 50792962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).