[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate

C19H16ClN3O5 — CID 23859774

IUPAC[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
SMILESCOc1cc(OC)c(NC(=O)COC(=O)c2cnc3ccccc3n2)cc1Cl
InChIInChI=1S/C19H16ClN3O5/c1-26-16-8-17(27-2)14(7-11(16)20)23-18(24)10-28-19(25)15-9-21-12-5-3-4-6-13(12)22-15/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyFMDHFDGHRFXNJD-UHFFFAOYSA-N
MW401.81 g/mol
LogP3.10
Rot. Bonds6

About [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate

[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate (PubChem CID 23859774) has the molecular formula C19H16ClN3O5 and a molecular weight of 401.81 g/mol. Its IUPAC name is [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
PubChem CID23859774
Molecular FormulaC19H16ClN3O5
Molecular Weight401.81 g/mol
Exact Mass401.08
IUPAC Name[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
SMILESCOc1cc(OC)c(NC(=O)COC(=O)c2cnc3ccccc3n2)cc1Cl
InChIInChI=1S/C19H16ClN3O5/c1-26-16-8-17(27-2)14(7-11(16)20)23-18(24)10-28-19(25)15-9-21-12-5-3-4-6-13(12)22-15/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyFMDHFDGHRFXNJD-UHFFFAOYSA-N
XLogP3.10
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 17417789
N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide
CID 17433781
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112162
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 7891604
3-O-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860657
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23773548
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 41161591
[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
CID 30031920
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 1,3-benzoxazole-5-carboxylate
CID 23802598
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23859831
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The IUPAC name of [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate (CID 23859774) is [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate is COc1cc(OC)c(NC(=O)COC(=O)c2cnc3ccccc3n2)cc1Cl.
What is the InChIKey of [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The InChIKey is FMDHFDGHRFXNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5/c1-26-16-8-17(27-2)14(7-11(16)20)23-18(24)10-28-19(25)15-9-21-12-5-3-4-6-13(12)22-15/h3-9H,10H2,1-2H3,(H,23,24).
What are the key properties of [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate has a molecular weight of 401.81 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 23859774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).