ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C19H14Cl2N4O2 — CID 3586235

IUPACethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12
InChIInChI=1S/C19H14Cl2N4O2/c1-2-27-19(26)15-16-18(24-14-6-4-3-5-13(14)23-16)25(17(15)22)10-7-8-11(20)12(21)9-10/h3-9H,2,22H2,1H3
InChIKeyUJLTUGSANGILMG-UHFFFAOYSA-N
MW401.25 g/mol
LogP4.64
Rot. Bonds3

About ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 3586235) has the molecular formula C19H14Cl2N4O2 and a molecular weight of 401.25 g/mol. Its IUPAC name is ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID3586235
Molecular FormulaC19H14Cl2N4O2
Molecular Weight401.25 g/mol
Exact Mass400.05
IUPAC Nameethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12
InChIInChI=1S/C19H14Cl2N4O2/c1-2-27-19(26)15-16-18(24-14-6-4-3-5-13(14)23-16)25(17(15)22)10-7-8-11(20)12(21)9-10/h3-9H,2,22H2,1H3
InChIKeyUJLTUGSANGILMG-UHFFFAOYSA-N
XLogP4.64
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 3586235) is ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is UJLTUGSANGILMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2/c1-2-27-19(26)15-16-18(24-14-6-4-3-5-13(14)23-16)25(17(15)22)10-7-8-11(20)12(21)9-10/h3-9H,2,22H2,1H3.
What are the key properties of ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 401.25 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-(3,4-dichlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 3586235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).