ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

C16H18N4O3 — CID 2429301

IUPACethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n([C@H](C)CO)c2nc3ccccc3nc12
InChIInChI=1S/C16H18N4O3/c1-3-23-16(22)12-13-15(20(14(12)17)9(2)8-21)19-11-7-5-4-6-10(11)18-13/h4-7,9,21H,3,8,17H2,1-2H3/t9-/m1/s1
InChIKeyNMTCDIHBEFKKEU-SECBINFHSA-N
MW314.35 g/mol
LogP1.90
Rot. Bonds4

About ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2429301) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2429301
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Nameethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n([C@H](C)CO)c2nc3ccccc3nc12
InChIInChI=1S/C16H18N4O3/c1-3-23-16(22)12-13-15(20(14(12)17)9(2)8-21)19-11-7-5-4-6-10(11)18-13/h4-7,9,21H,3,8,17H2,1-2H3/t9-/m1/s1
InChIKeyNMTCDIHBEFKKEU-SECBINFHSA-N
XLogP1.90
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2429301) is ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n([C@H](C)CO)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is NMTCDIHBEFKKEU-SECBINFHSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-3-23-16(22)12-13-15(20(14(12)17)9(2)8-21)19-11-7-5-4-6-10(11)18-13/h4-7,9,21H,3,8,17H2,1-2H3/t9-/m1/s1.
What are the key properties of ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 314.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2429301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).