[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

C24H24N4O4 — CID 2032466

IUPAC[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOc1ccccc1Cn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21
InChIInChI=1S/C24H24N4O4/c1-30-19-11-5-2-7-15(19)13-28-22(25)20(24(29)32-14-16-8-6-12-31-16)21-23(28)27-18-10-4-3-9-17(18)26-21/h2-5,7,9-11,16H,6,8,12-14,25H2,1H3/t16-/m0/s1
InChIKeyGZCUWYRSQYHOPO-INIZCTEOSA-N
MW432.48 g/mol
LogP3.56
Rot. Bonds6

About [(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2032466) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2032466
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOc1ccccc1Cn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21
InChIInChI=1S/C24H24N4O4/c1-30-19-11-5-2-7-15(19)13-28-22(25)20(24(29)32-14-16-8-6-12-31-16)21-23(28)27-18-10-4-3-9-17(18)26-21/h2-5,7,9-11,16H,6,8,12-14,25H2,1H3/t16-/m0/s1
InChIKeyGZCUWYRSQYHOPO-INIZCTEOSA-N
XLogP3.56
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

oxolan-2-ylmethyl 2-amino-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3727119
[(2S)-oxolan-2-yl]methyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2020304
[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2R)-butan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 7529854
[(2R)-oxolan-2-yl]methyl 2-amino-1-(2,5-dimethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2021017
[(2S)-oxolan-2-yl]methyl 2-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2022166
[(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-(4-ethoxycarbonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 40852214
oxolan-2-ylmethyl 2-amino-1-(4-phenoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3306058
oxolan-2-ylmethyl 5,6-dimethoxy-9-oxo-2,10,14,21-tetrazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3,5,7,11,13,15,17,19-nonaene-12-carboxylate
CID 22695910
2-amino-1-[(3,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 41080987
3-methylbutyl 2-amino-1-(oxolan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 662022
[(2R)-oxolan-2-yl]methyl 2-amino-1-(3-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2013523

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2032466) is [(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is COc1ccccc1Cn1c(N)c(C(=O)OC[C@@H]2CCCO2)c2nc3ccccc3nc21.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is GZCUWYRSQYHOPO-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-30-19-11-5-2-7-15(19)13-28-22(25)20(24(29)32-14-16-8-6-12-31-16)21-23(28)27-18-10-4-3-9-17(18)26-21/h2-5,7,9-11,16H,6,8,12-14,25H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
[(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 2-amino-1-[(2-methoxyphenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2032466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).