6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione

C13H15N3O2 — CID 43723406

IUPAC6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NC3CCCC3)cc2[nH]c1=O
InChIInChI=1S/C13H15N3O2/c17-12-13(18)16-11-7-9(5-6-10(11)15-12)14-8-3-1-2-4-8/h5-8,14H,1-4H2,(H,15,17)(H,16,18)
InChIKeyIIXFNNMMDSDZEL-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.57
Rot. Bonds2

About 6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione

6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43723406) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43723406
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(NC3CCCC3)cc2[nH]c1=O
InChIInChI=1S/C13H15N3O2/c17-12-13(18)16-11-7-9(5-6-10(11)15-12)14-8-3-1-2-4-8/h5-8,14H,1-4H2,(H,15,17)(H,16,18)
InChIKeyIIXFNNMMDSDZEL-UHFFFAOYSA-N
XLogP1.57
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione (CID 43723406) is 6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(NC3CCCC3)cc2[nH]c1=O.
What is the InChIKey of 6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is IIXFNNMMDSDZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-12-13(18)16-11-7-9(5-6-10(11)15-12)14-8-3-1-2-4-8/h5-8,14H,1-4H2,(H,15,17)(H,16,18).
What are the key properties of 6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione?
6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 245.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43723406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).