1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione

C14H16N4O5 — CID 2992790

IUPAC1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCOCC3)cc21
InChIInChI=1S/C14H16N4O5/c1-15-9-7-11(17-3-5-23-6-4-17)12(18(21)22)8-10(9)16(2)14(20)13(15)19/h7-8H,3-6H2,1-2H3
InChIKeyLPXGSDOJLJLDFH-UHFFFAOYSA-N
MW320.31 g/mol
LogP-0.02
Rot. Bonds2

About 1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione

1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione (PubChem CID 2992790) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione.

Molecular Properties

Compound Name1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione
PubChem CID2992790
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCOCC3)cc21
InChIInChI=1S/C14H16N4O5/c1-15-9-7-11(17-3-5-23-6-4-17)12(18(21)22)8-10(9)16(2)14(20)13(15)19/h7-8H,3-6H2,1-2H3
InChIKeyLPXGSDOJLJLDFH-UHFFFAOYSA-N
XLogP-0.02
TPSA99.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione?
The IUPAC name of 1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione (CID 2992790) is 1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione.
What is the SMILES notation for 1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione?
The canonical SMILES for 1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione is Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCOCC3)cc21.
What is the InChIKey of 1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione?
The InChIKey is LPXGSDOJLJLDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-15-9-7-11(17-3-5-23-6-4-17)12(18(21)22)8-10(9)16(2)14(20)13(15)19/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione?
1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione has a molecular weight of 320.31 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-morpholin-4-yl-7-nitroquinoxaline-2,3-dione is sourced from PubChem (CID 2992790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).