[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate

C17H11Cl2N3O3 — CID 7677317

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nccnc2c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H11Cl2N3O3/c18-11-2-1-3-12(19)16(11)22-15(23)9-25-17(24)10-4-5-13-14(8-10)21-7-6-20-13/h1-8H,9H2,(H,22,23)
InChIKeyRPVQBWUNFYVUAY-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.73
Rot. Bonds4

About [2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate

[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate (PubChem CID 7677317) has the molecular formula C17H11Cl2N3O3 and a molecular weight of 376.20 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate
PubChem CID7677317
Molecular FormulaC17H11Cl2N3O3
Molecular Weight376.20 g/mol
Exact Mass375.02
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nccnc2c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H11Cl2N3O3/c18-11-2-1-3-12(19)16(11)22-15(23)9-25-17(24)10-4-5-13-14(8-10)21-7-6-20-13/h1-8H,9H2,(H,22,23)
InChIKeyRPVQBWUNFYVUAY-UHFFFAOYSA-N
XLogP3.73
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 40991554
[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676574
(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677110
[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381928
[2-(4-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677388
(2-benzamido-2-oxoethyl) quinoxaline-6-carboxylate
CID 7676886
[2-(2,6-dichloroanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607717
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] pyridine-4-carboxylate
CID 2347807
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677351
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676763
[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628238
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate (CID 7677317) is [2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate is O=C(COC(=O)c1ccc2nccnc2c1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
The InChIKey is RPVQBWUNFYVUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O3/c18-11-2-1-3-12(19)16(11)22-15(23)9-25-17(24)10-4-5-13-14(8-10)21-7-6-20-13/h1-8H,9H2,(H,22,23).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate?
[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate has a molecular weight of 376.20 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate is sourced from PubChem (CID 7677317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).