1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione

C18H23N3O4 — CID 46786299

IUPAC1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione
SMILESCCCCn1c(=O)c(=O)n(CC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C18H23N3O4/c1-2-3-8-20-14-6-4-5-7-15(14)21(18(24)17(20)23)13-16(22)19-9-11-25-12-10-19/h4-7H,2-3,8-13H2,1H3
InChIKeyNRRUTFLARPGHAL-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.82
Rot. Bonds5

About 1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione

1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione (PubChem CID 46786299) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione
PubChem CID46786299
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione
SMILESCCCCn1c(=O)c(=O)n(CC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C18H23N3O4/c1-2-3-8-20-14-6-4-5-7-15(14)21(18(24)17(20)23)13-16(22)19-9-11-25-12-10-19/h4-7H,2-3,8-13H2,1H3
InChIKeyNRRUTFLARPGHAL-UHFFFAOYSA-N
XLogP0.82
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione?
The IUPAC name of 1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione (CID 46786299) is 1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione.
What is the SMILES notation for 1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione?
The canonical SMILES for 1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione is CCCCn1c(=O)c(=O)n(CC(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione?
The InChIKey is NRRUTFLARPGHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-3-8-20-14-6-4-5-7-15(14)21(18(24)17(20)23)13-16(22)19-9-11-25-12-10-19/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione?
1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione has a molecular weight of 345.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2-morpholin-4-yl-2-oxoethyl)quinoxaline-2,3-dione is sourced from PubChem (CID 46786299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).