4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine

C16H18N6O6 — CID 2869201

IUPAC4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine
SMILESO=[N+]([O-])c1cc2nc(N3CCOCC3)c(N3CCOCC3)nc2cc1[N+](=O)[O-]
InChIInChI=1S/C16H18N6O6/c23-21(24)13-9-11-12(10-14(13)22(25)26)18-16(20-3-7-28-8-4-20)15(17-11)19-1-5-27-6-2-19/h9-10H,1-8H2
InChIKeyIOPJJEXDYBXZJZ-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.12
Rot. Bonds4

About 4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine

4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine (PubChem CID 2869201) has the molecular formula C16H18N6O6 and a molecular weight of 390.36 g/mol. Its IUPAC name is 4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine.

Molecular Properties

Compound Name4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine
PubChem CID2869201
Molecular FormulaC16H18N6O6
Molecular Weight390.36 g/mol
Exact Mass390.13
IUPAC Name4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine
SMILESO=[N+]([O-])c1cc2nc(N3CCOCC3)c(N3CCOCC3)nc2cc1[N+](=O)[O-]
InChIInChI=1S/C16H18N6O6/c23-21(24)13-9-11-12(10-14(13)22(25)26)18-16(20-3-7-28-8-4-20)15(17-11)19-1-5-27-6-2-19/h9-10H,1-8H2
InChIKeyIOPJJEXDYBXZJZ-UHFFFAOYSA-N
XLogP1.12
TPSA137.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'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 4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine?
The IUPAC name of 4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine (CID 2869201) is 4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine.
What is the SMILES notation for 4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine?
The canonical SMILES for 4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine is O=[N+]([O-])c1cc2nc(N3CCOCC3)c(N3CCOCC3)nc2cc1[N+](=O)[O-].
What is the InChIKey of 4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine?
The InChIKey is IOPJJEXDYBXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O6/c23-21(24)13-9-11-12(10-14(13)22(25)26)18-16(20-3-7-28-8-4-20)15(17-11)19-1-5-27-6-2-19/h9-10H,1-8H2.
What are the key properties of 4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine?
4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine has a molecular weight of 390.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-yl-6,7-dinitroquinoxalin-2-yl)morpholine is sourced from PubChem (CID 2869201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).