[(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C24H24N4O3 — CID 2021017

IUPAC[(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCc1ccc(C)c(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)c1
InChIInChI=1S/C24H24N4O3/c1-14-9-10-15(2)19(12-14)28-22(25)20(24(29)31-13-16-6-5-11-30-16)21-23(28)27-18-8-4-3-7-17(18)26-21/h3-4,7-10,12,16H,5-6,11,13,25H2,1-2H3/t16-/m1/s1
InChIKeyYYHPDZHLGXZPCA-MRXNPFEDSA-N
MW416.48 g/mol
LogP4.11
Rot. Bonds4

About [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

[(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2021017) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2021017
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name[(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCc1ccc(C)c(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)c1
InChIInChI=1S/C24H24N4O3/c1-14-9-10-15(2)19(12-14)28-22(25)20(24(29)31-13-16-6-5-11-30-16)21-23(28)27-18-8-4-3-7-17(18)26-21/h3-4,7-10,12,16H,5-6,11,13,25H2,1-2H3/t16-/m1/s1
InChIKeyYYHPDZHLGXZPCA-MRXNPFEDSA-N
XLogP4.11
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

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Related Compounds

[(2R)-oxolan-2-yl]methyl 2-amino-1-(4-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852214
[(2S)-oxolan-2-yl]methyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2020304
[(2R)-oxolan-2-yl]methyl 2-amino-1-(4-chlorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2022291
[(2R)-oxolan-2-yl]methyl 2-amino-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2013523
oxolan-2-ylmethyl 2-amino-1-(4-phenoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3306058
[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2R)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7529854
oxolan-2-ylmethyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3727119
[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2032466
[(2S)-oxolan-2-yl]methyl 2-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2022166
3-methylbutyl 2-amino-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 662022
[(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
CID 94070043
ethyl 2-amino-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2340669

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2021017) is [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is Cc1ccc(C)c(-n2c(N)c(C(=O)OC[C@H]3CCCO3)c3nc4ccccc4nc32)c1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is YYHPDZHLGXZPCA-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-9-10-15(2)19(12-14)28-22(25)20(24(29)31-13-16-6-5-11-30-16)21-23(28)27-18-8-4-3-7-17(18)26-21/h3-4,7-10,12,16H,5-6,11,13,25H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
[(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2021017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).