2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C15H19N5O — CID 102987185

IUPAC2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Nc1nc2ccccc2nc1N)C(=O)N1CCCC1
InChIInChI=1S/C15H19N5O/c1-10(15(21)20-8-4-5-9-20)17-14-13(16)18-11-6-2-3-7-12(11)19-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyOWNFADBUHPHCNO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.63
Rot. Bonds3

About 2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 102987185) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID102987185
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Nc1nc2ccccc2nc1N)C(=O)N1CCCC1
InChIInChI=1S/C15H19N5O/c1-10(15(21)20-8-4-5-9-20)17-14-13(16)18-11-6-2-3-7-12(11)19-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyOWNFADBUHPHCNO-UHFFFAOYSA-N
XLogP1.63
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
2-[(3-aminoquinoxalin-2-yl)amino]-N-ethylpropanamide
CID 102984187
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112551708
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365021
3-N-(2-piperidin-1-ylpropyl)quinoxaline-2,3-diamine
CID 102983851
(2S)-2-[[5-(3-aminoquinoxalin-2-yl)-1,3,4-oxadiazol-2-yl]amino]-1-(6-azaspiro[2.5]octan-6-yl)propan-1-one
CID 171632139
(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one
CID 95578449
2-(2,3-dimethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 42912733
2-amino-3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzonitrile
CID 104717053

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 102987185) is 2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC(Nc1nc2ccccc2nc1N)C(=O)N1CCCC1.
What is the InChIKey of 2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OWNFADBUHPHCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(15(21)20-8-4-5-9-20)17-14-13(16)18-11-6-2-3-7-12(11)19-14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 285.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 102987185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).