N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine

C21H19N3O4 — CID 1275789

IUPACN-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine
SMILESO=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C21H19N3O4/c25-24(26)20-4-2-1-3-19(20)21-10-9-18(28-21)15-22-16-5-7-17(8-6-16)23-11-13-27-14-12-23/h1-10,15H,11-14H2/b22-15+
InChIKeyZEEGTNRNUDHXSM-PXLXIMEGSA-N
MW377.40 g/mol
LogP4.44
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine

N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine (PubChem CID 1275789) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine
PubChem CID1275789
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine
SMILESO=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C21H19N3O4/c25-24(26)20-4-2-1-3-19(20)21-10-9-18(28-21)15-22-16-5-7-17(8-6-16)23-11-13-27-14-12-23/h1-10,15H,11-14H2/b22-15+
InChIKeyZEEGTNRNUDHXSM-PXLXIMEGSA-N
XLogP4.44
TPSA81.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-[(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126152694
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 72688376
(Z)-1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-N-morpholin-4-ylmethanimine
CID 9216841
(E)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 17098484
4-bromo-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 3331833
3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enal
CID 4771794
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
1,5-dimethyl-4-[[5-(4-morpholin-4-yl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one
CID 23827778
(1S,2S,6R,7S,8R,10R)-4-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124716091
(1R,2S,6R,7R,8R,10S)-4-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99721541
N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide
CID 5410715
3-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3,4-diamine
CID 3541000

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine (CID 1275789) is N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine is O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine?
The InChIKey is ZEEGTNRNUDHXSM-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-24(26)20-4-2-1-3-19(20)21-10-9-18(28-21)15-22-16-5-7-17(8-6-16)23-11-13-27-14-12-23/h1-10,15H,11-14H2/b22-15+.
What are the key properties of N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine?
N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine has a molecular weight of 377.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 1275789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).