4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine

C19H18N4O4 — CID 2469334

IUPAC4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine
SMILESO=[N+]([O-])c1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C19H18N4O4/c24-23(25)15-7-5-14(6-8-15)13-27-19-18(22-9-11-26-12-10-22)20-16-3-1-2-4-17(16)21-19/h1-8H,9-13H2
InChIKeyNYTNFAZPNKYXHY-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.95
Rot. Bonds5

About 4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine

4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine (PubChem CID 2469334) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine
PubChem CID2469334
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine
SMILESO=[N+]([O-])c1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1
InChIInChI=1S/C19H18N4O4/c24-23(25)15-7-5-14(6-8-15)13-27-19-18(22-9-11-26-12-10-22)20-16-3-1-2-4-17(16)21-19/h1-8H,9-13H2
InChIKeyNYTNFAZPNKYXHY-UHFFFAOYSA-N
XLogP2.95
TPSA90.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine?
The IUPAC name of 4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine (CID 2469334) is 4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine.
What is the SMILES notation for 4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine?
The canonical SMILES for 4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine is O=[N+]([O-])c1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1.
What is the InChIKey of 4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine?
The InChIKey is NYTNFAZPNKYXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-23(25)15-7-5-14(6-8-15)13-27-19-18(22-9-11-26-12-10-22)20-16-3-1-2-4-17(16)21-19/h1-8H,9-13H2.
What are the key properties of 4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine?
4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine has a molecular weight of 366.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-nitrophenyl)methoxy]quinoxalin-2-yl]morpholine is sourced from PubChem (CID 2469334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).