N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline

C18H19N5O5 — CID 5035188

IUPACN-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19N5O5/c1-13(14-2-4-15(5-3-14)21-8-10-28-11-9-21)19-20-17-7-6-16(22(24)25)12-18(17)23(26)27/h2-7,12,20H,8-11H2,1H3
InChIKeyHJJIZWQTUAOAGA-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.18
Rot. Bonds6

About N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline

N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline (PubChem CID 5035188) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline.

Molecular Properties

Compound NameN-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline
PubChem CID5035188
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC NameN-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline
SMILESCC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19N5O5/c1-13(14-2-4-15(5-3-14)21-8-10-28-11-9-21)19-20-17-7-6-16(22(24)25)12-18(17)23(26)27/h2-7,12,20H,8-11H2,1H3
InChIKeyHJJIZWQTUAOAGA-UHFFFAOYSA-N
XLogP3.18
TPSA123.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[2-[1-(4-morpholin-4-ylphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3282087
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 6138465
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 139082946
2,4-dinitro-N-(1-phenylethylideneamino)aniline
CID 15503
N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-4-nitrobenzamide
CID 3959978
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2,4-dinitroaniline
CID 6154139
4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline
CID 3954704
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 93057868
2-morpholin-4-ylsulfonyl-4-nitro-N-[(Z)-1-pyridin-4-ylethylideneamino]aniline
CID 6045628
2-morpholin-4-ylsulfonyl-4-nitro-N-(1-pyridin-4-ylethylideneamino)aniline
CID 4239689
N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,4-dinitroaniline
CID 3493756
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3263579

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline?
The IUPAC name of N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline (CID 5035188) is N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline.
What is the SMILES notation for N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline?
The canonical SMILES for N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline is CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline?
The InChIKey is HJJIZWQTUAOAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-13(14-2-4-15(5-3-14)21-8-10-28-11-9-21)19-20-17-7-6-16(22(24)25)12-18(17)23(26)27/h2-7,12,20H,8-11H2,1H3.
What are the key properties of N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline?
N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline has a molecular weight of 385.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline is sourced from PubChem (CID 5035188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).