[(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone

C18H21N5O2 — CID 24752844

IUPAC[(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESN[C@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C18H21N5O2/c19-13-11-23(10-12(13)17(24)22-7-3-4-8-22)18(25)16-9-20-14-5-1-2-6-15(14)21-16/h1-2,5-6,9,12-13H,3-4,7-8,10-11,19H2/t12-,13+/m1/s1
InChIKeyXDSKICAQKGYYJF-OLZOCXBDSA-N
MW339.40 g/mol
LogP0.65
Rot. Bonds2

About [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24752844) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID24752844
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name[(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESN[C@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C18H21N5O2/c19-13-11-23(10-12(13)17(24)22-7-3-4-8-22)18(25)16-9-20-14-5-1-2-6-15(14)21-16/h1-2,5-6,9,12-13H,3-4,7-8,10-11,19H2/t12-,13+/m1/s1
InChIKeyXDSKICAQKGYYJF-OLZOCXBDSA-N
XLogP0.65
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone (CID 24752844) is [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone is N[C@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C(=O)N1CCCC1.
What is the InChIKey of [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XDSKICAQKGYYJF-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H21N5O2/c19-13-11-23(10-12(13)17(24)22-7-3-4-8-22)18(25)16-9-20-14-5-1-2-6-15(14)21-16/h1-2,5-6,9,12-13H,3-4,7-8,10-11,19H2/t12-,13+/m1/s1.
What are the key properties of [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 339.40 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-amino-1-(quinoxaline-2-carbonyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24752844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).