methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C21H20N4O2 — CID 23792485

IUPACmethyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOC(=O)c1c(N)n(-c2c(C)cc(C)cc2C)c2nc3ccccc3nc12
InChIInChI=1S/C21H20N4O2/c1-11-9-12(2)18(13(3)10-11)25-19(22)16(21(26)27-4)17-20(25)24-15-8-6-5-7-14(15)23-17/h5-10H,22H2,1-4H3
InChIKeySLCYXNKMUDWDCM-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.87
Rot. Bonds2

About methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 23792485) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID23792485
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Namemethyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOC(=O)c1c(N)n(-c2c(C)cc(C)cc2C)c2nc3ccccc3nc12
InChIInChI=1S/C21H20N4O2/c1-11-9-12(2)18(13(3)10-11)25-19(22)16(21(26)27-4)17-20(25)24-15-8-6-5-7-14(15)23-17/h5-10H,22H2,1-4H3
InChIKeySLCYXNKMUDWDCM-UHFFFAOYSA-N
XLogP3.87
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 23792485) is methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is COC(=O)c1c(N)n(-c2c(C)cc(C)cc2C)c2nc3ccccc3nc12.
What is the InChIKey of methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is SLCYXNKMUDWDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-11-9-12(2)18(13(3)10-11)25-19(22)16(21(26)27-4)17-20(25)24-15-8-6-5-7-14(15)23-17/h5-10H,22H2,1-4H3.
What are the key properties of methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 360.42 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 23792485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).