2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C23H24N4O2 — CID 3798420

IUPAC2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCC(C)COC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12
InChIInChI=1S/C23H24N4O2/c1-4-14(2)13-29-23(28)19-20-22(26-18-11-6-5-10-17(18)25-20)27(21(19)24)16-9-7-8-15(3)12-16/h5-12,14H,4,13,24H2,1-3H3
InChIKeyRDTKSJFYMKCEBK-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.67
Rot. Bonds5

About 2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 3798420) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID3798420
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCC(C)COC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12
InChIInChI=1S/C23H24N4O2/c1-4-14(2)13-29-23(28)19-20-22(26-18-11-6-5-10-17(18)25-20)27(21(19)24)16-9-7-8-15(3)12-16/h5-12,14H,4,13,24H2,1-3H3
InChIKeyRDTKSJFYMKCEBK-UHFFFAOYSA-N
XLogP4.67
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of 2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 3798420) is 2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for 2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for 2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCC(C)COC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12.
What is the InChIKey of 2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is RDTKSJFYMKCEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-14(2)13-29-23(28)19-20-22(26-18-11-6-5-10-17(18)25-20)27(21(19)24)16-9-7-8-15(3)12-16/h5-12,14H,4,13,24H2,1-3H3.
What are the key properties of 2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 3798420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).