4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine

C18H16N4O3 — CID 51042260

IUPAC4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine
SMILESO=[N+]([O-])c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C18H16N4O3/c23-22(24)15-3-1-2-13(10-15)14-4-5-16-17(11-14)20-18(12-19-16)21-6-8-25-9-7-21/h1-5,10-12H,6-9H2
InChIKeyHYUDIOKWGCYMRD-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.04
Rot. Bonds3

About 4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine

4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine (PubChem CID 51042260) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine
PubChem CID51042260
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine
SMILESO=[N+]([O-])c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C18H16N4O3/c23-22(24)15-3-1-2-13(10-15)14-4-5-16-17(11-14)20-18(12-19-16)21-6-8-25-9-7-21/h1-5,10-12H,6-9H2
InChIKeyHYUDIOKWGCYMRD-UHFFFAOYSA-N
XLogP3.04
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

4-[7-(furan-2-yl)quinoxalin-2-yl]morpholine
CID 173105011
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039
4-[7-(3-propan-2-yloxyphenyl)quinoxalin-2-yl]morpholine
CID 51039662
N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
CID 67035240
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline
CID 67035841
1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-phenylethanone
CID 157427262
2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 147372579
4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67036137
4-[7-(2-methyl-1H-imidazol-5-yl)quinoxalin-2-yl]morpholine
CID 91385762
4-[4-(3-nitrophenyl)pyrimidin-2-yl]morpholine
CID 66493906
3-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 67035904

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine?
The IUPAC name of 4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine (CID 51042260) is 4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine?
The canonical SMILES for 4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine is O=[N+]([O-])c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1.
What is the InChIKey of 4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine?
The InChIKey is HYUDIOKWGCYMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-22(24)15-3-1-2-13(10-15)14-4-5-16-17(11-14)20-18(12-19-16)21-6-8-25-9-7-21/h1-5,10-12H,6-9H2.
What are the key properties of 4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine?
4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine has a molecular weight of 336.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine is sourced from PubChem (CID 51042260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).