1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione

C15H14N4O2 — CID 60933132

IUPAC1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc3nccnc3c2)C(=O)N1C1CC1
InChIInChI=1S/C15H14N4O2/c20-14-8-13(15(21)19(14)10-2-3-10)18-9-1-4-11-12(7-9)17-6-5-16-11/h1,4-7,10,13,18H,2-3,8H2
InChIKeyXNHAFTPOHXTZRT-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.33
Rot. Bonds3

About 1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione

1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione (PubChem CID 60933132) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione
PubChem CID60933132
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc3nccnc3c2)C(=O)N1C1CC1
InChIInChI=1S/C15H14N4O2/c20-14-8-13(15(21)19(14)10-2-3-10)18-9-1-4-11-12(7-9)17-6-5-16-11/h1,4-7,10,13,18H,2-3,8H2
InChIKeyXNHAFTPOHXTZRT-UHFFFAOYSA-N
XLogP1.33
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylamino)pyrrolidine-2,5-dione
CID 51453721
1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione
CID 43637410
(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione
CID 51454371
1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione
CID 66349722
(3R)-1-cyclopentyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 7456009
(3S)-1-cyclopropyl-3-(4-phenoxyanilino)pyrrolidine-2,5-dione
CID 25349483
(3R)-3-(1,3-benzodioxol-5-ylamino)-1-cyclohexylpyrrolidine-2,5-dione
CID 7456103
1-cyclopropyl-3-[(2-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 79041651
3-anilino-1-cycloheptylpyrrolidine-2,5-dione
CID 43637260
4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 43637380
1-cyclopropyl-3-(2,3,4-trifluoroanilino)pyrrolidine-2,5-dione
CID 43411434
1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 55202075

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione (CID 60933132) is 1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc3nccnc3c2)C(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione?
The InChIKey is XNHAFTPOHXTZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-14-8-13(15(21)19(14)10-2-3-10)18-9-1-4-11-12(7-9)17-6-5-16-11/h1,4-7,10,13,18H,2-3,8H2.
What are the key properties of 1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione?
1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione has a molecular weight of 282.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 60933132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).