6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione

C15H18N4O2 — CID 62981470

IUPAC6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NC3CCN(C4CC4)C3)cc2[nH]c1=O
InChIInChI=1S/C15H18N4O2/c20-14-15(21)18-13-7-9(1-4-12(13)17-14)16-10-5-6-19(8-10)11-2-3-11/h1,4,7,10-11,16H,2-3,5-6,8H2,(H,17,20)(H,18,21)
InChIKeyDEMHPLTVGAJXGK-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.87
Rot. Bonds3

About 6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione

6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 62981470) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID62981470
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NC3CCN(C4CC4)C3)cc2[nH]c1=O
InChIInChI=1S/C15H18N4O2/c20-14-15(21)18-13-7-9(1-4-12(13)17-14)16-10-5-6-19(8-10)11-2-3-11/h1,4,7,10-11,16H,2-3,5-6,8H2,(H,17,20)(H,18,21)
InChIKeyDEMHPLTVGAJXGK-UHFFFAOYSA-N
XLogP0.87
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione (CID 62981470) is 6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(NC3CCN(C4CC4)C3)cc2[nH]c1=O.
What is the InChIKey of 6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is DEMHPLTVGAJXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14-15(21)18-13-7-9(1-4-12(13)17-14)16-10-5-6-19(8-10)11-2-3-11/h1,4,7,10-11,16H,2-3,5-6,8H2,(H,17,20)(H,18,21).
What are the key properties of 6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 286.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 62981470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).