N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

C19H18ClN3O5 — CID 26620345

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21
InChIInChI=1S/C19H18ClN3O5/c1-4-23-14-6-5-10(7-12(14)21-18(25)19(23)26)17(24)22-13-9-15(27-2)11(20)8-16(13)28-3/h5-9H,4H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyCCPUNQXLUIZDKF-UHFFFAOYSA-N
MW403.82 g/mol
LogP2.63
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (PubChem CID 26620345) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
PubChem CID26620345
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21
InChIInChI=1S/C19H18ClN3O5/c1-4-23-14-6-5-10(7-12(14)21-18(25)19(23)26)17(24)22-13-9-15(27-2)11(20)8-16(13)28-3/h5-9H,4H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyCCPUNQXLUIZDKF-UHFFFAOYSA-N
XLogP2.63
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811394
N-(3-chloro-4-fluorophenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26365670
N-[1-(4-chlorophenyl)propyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 17441845
N-(2,5-dimethoxyphenyl)-1-ethyl-2-sulfanylidene-3H-benzimidazole-5-carboxamide
CID 17392150
N-[4-(4-cyanophenoxy)-2-methylphenyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 60578176
1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 24564378
N-(4-chloro-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825951
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
4-[(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)amino]-4-methylpentanoic acid
CID 119357294
N-(4-chloro-2,5-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 26022355

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide (CID 26620345) is N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)ccc21.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
The InChIKey is CCPUNQXLUIZDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-4-23-14-6-5-10(7-12(14)21-18(25)19(23)26)17(24)22-13-9-15(27-2)11(20)8-16(13)28-3/h5-9H,4H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide has a molecular weight of 403.82 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 26620345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).