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

C23H24N4O3 — CID 3793532

IUPAC2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCC(C)COC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12
InChIInChI=1S/C23H24N4O3/c1-4-14(2)13-30-23(28)19-20-22(26-18-11-6-5-10-17(18)25-20)27(21(19)24)15-8-7-9-16(12-15)29-3/h5-12,14H,4,13,24H2,1-3H3
InChIKeyONMRSAIAANPHPO-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.37
Rot. Bonds6

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

2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 3793532) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID3793532
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCC(C)COC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12
InChIInChI=1S/C23H24N4O3/c1-4-14(2)13-30-23(28)19-20-22(26-18-11-6-5-10-17(18)25-20)27(21(19)24)15-8-7-9-16(12-15)29-3/h5-12,14H,4,13,24H2,1-3H3
InChIKeyONMRSAIAANPHPO-UHFFFAOYSA-N
XLogP4.37
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methylbutyl 2-amino-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3798420
2-methylbutyl 1-(4-acetylphenyl)-2-aminopyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3796161
[(2S)-2-methylbutyl] 2-amino-1-(9-ethylcarbazol-3-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852206
[(2S)-2-methylbutyl] 2-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 41084902
[(2R)-2-methylbutyl] 2-amino-1-(4-butoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 41084912
propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2005816
[(2R)-2-methylbutyl] 2-amino-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7472331
ethyl 2-amino-1-naphthalen-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1180696
butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4233482
2-methylbutyl 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3800608
[(2R)-butan-2-yl] 2-amino-1-(3-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40955162
ethyl 2-amino-1-(3,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987442

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of 2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 3793532) is 2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for 2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for 2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCC(C)COC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12.
What is the InChIKey of 2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is ONMRSAIAANPHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-4-14(2)13-30-23(28)19-20-22(26-18-11-6-5-10-17(18)25-20)27(21(19)24)15-8-7-9-16(12-15)29-3/h5-12,14H,4,13,24H2,1-3H3.
What are the key properties of 2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl 2-amino-1-(3-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 3793532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).