N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline

C17H18N4O3 — CID 4061939

IUPACN-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H18N4O3/c22-21(23)17-7-3-15(4-8-17)19-18-13-14-1-5-16(6-2-14)20-9-11-24-12-10-20/h1-8,13,19H,9-12H2
InChIKeyQVSDOJJQSXONRG-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.88
Rot. Bonds5

About N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline

N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline (PubChem CID 4061939) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline
PubChem CID4061939
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=Cc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H18N4O3/c22-21(23)17-7-3-15(4-8-17)19-18-13-14-1-5-16(6-2-14)20-9-11-24-12-10-20/h1-8,13,19H,9-12H2
InChIKeyQVSDOJJQSXONRG-UHFFFAOYSA-N
XLogP2.88
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

4-nitro-N-[(Z)-(4-pyrrol-1-ylphenyl)methylideneamino]aniline
CID 40606782
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126011066
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide
CID 6073510
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 6143229
N-[[4-(4-methylpiperidin-1-yl)phenyl]methylideneamino]-3-nitroaniline
CID 110842335
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
N-[(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4106283
1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 4559641
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 6105790

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline (CID 4061939) is N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline is O=[N+]([O-])c1ccc(NN=Cc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline?
The InChIKey is QVSDOJJQSXONRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-21(23)17-7-3-15(4-8-17)19-18-13-14-1-5-16(6-2-14)20-9-11-24-12-10-20/h1-8,13,19H,9-12H2.
What are the key properties of N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline?
N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline has a molecular weight of 326.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline is sourced from PubChem (CID 4061939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).