4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine

C16H19N5O4 — CID 759630

IUPAC4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine
SMILESO=[N+]([O-])c1ccc2nc(N3CCOCC3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C16H19N5O4/c22-21(23)12-1-2-13-14(11-12)18-16(20-5-9-25-10-6-20)15(17-13)19-3-7-24-8-4-19/h1-2,11H,3-10H2
InChIKeyLHDKFHKPKKHJDU-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.21
Rot. Bonds3

About 4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine

4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine (PubChem CID 759630) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine.

Molecular Properties

Compound Name4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine
PubChem CID759630
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine
SMILESO=[N+]([O-])c1ccc2nc(N3CCOCC3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C16H19N5O4/c22-21(23)12-1-2-13-14(11-12)18-16(20-5-9-25-10-6-20)15(17-13)19-3-7-24-8-4-19/h1-2,11H,3-10H2
InChIKeyLHDKFHKPKKHJDU-UHFFFAOYSA-N
XLogP1.21
TPSA93.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-nitroquinoxalin-2-yl)morpholine?
The IUPAC name of 4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine (CID 759630) is 4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine.
What is the SMILES notation for 4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine?
The canonical SMILES for 4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine is O=[N+]([O-])c1ccc2nc(N3CCOCC3)c(N3CCOCC3)nc2c1.
What is the InChIKey of 4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine?
The InChIKey is LHDKFHKPKKHJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c22-21(23)12-1-2-13-14(11-12)18-16(20-5-9-25-10-6-20)15(17-13)19-3-7-24-8-4-19/h1-2,11H,3-10H2.
What are the key properties of 4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine?
4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine has a molecular weight of 345.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-yl-6-nitroquinoxalin-2-yl)morpholine is sourced from PubChem (CID 759630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).