[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone

C16H18N4O — CID 133123200

IUPAC[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
SMILESN[C@@H]1CN(C(=O)c2cccc3nccnc23)C[C@H]1C1CC1
InChIInChI=1S/C16H18N4O/c17-13-9-20(8-12(13)10-4-5-10)16(21)11-2-1-3-14-15(11)19-7-6-18-14/h1-3,6-7,10,12-13H,4-5,8-9,17H2/t12-,13+/m0/s1
InChIKeyHLWUPXIHZNUPDU-QWHCGFSZSA-N
MW282.35 g/mol
LogP1.44
Rot. Bonds2

About [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone

[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone (PubChem CID 133123200) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
PubChem CID133123200
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
SMILESN[C@@H]1CN(C(=O)c2cccc3nccnc23)C[C@H]1C1CC1
InChIInChI=1S/C16H18N4O/c17-13-9-20(8-12(13)10-4-5-10)16(21)11-2-1-3-14-15(11)19-7-6-18-14/h1-3,6-7,10,12-13H,4-5,8-9,17H2/t12-,13+/m0/s1
InChIKeyHLWUPXIHZNUPDU-QWHCGFSZSA-N
XLogP1.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone (CID 133123200) is [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone is N[C@@H]1CN(C(=O)c2cccc3nccnc23)C[C@H]1C1CC1.
What is the InChIKey of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
The InChIKey is HLWUPXIHZNUPDU-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H18N4O/c17-13-9-20(8-12(13)10-4-5-10)16(21)11-2-1-3-14-15(11)19-7-6-18-14/h1-3,6-7,10,12-13H,4-5,8-9,17H2/t12-,13+/m0/s1.
What are the key properties of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone?
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone has a molecular weight of 282.35 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 133123200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).