N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline

C15H15N3O4 — CID 6131990

IUPACN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
SMILESCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C15H15N3O4/c1-21-14-8-3-11(9-15(14)22-2)10-16-17-12-4-6-13(7-5-12)18(19)20/h3-10,17H,1-2H3/b16-10-
InChIKeyNQVZORVVVPBZBJ-YBEGLDIGSA-N
MW301.30 g/mol
LogP3.06
Rot. Bonds6

About N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline

N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline (PubChem CID 6131990) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
PubChem CID6131990
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
SMILESCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC
InChIInChI=1S/C15H15N3O4/c1-21-14-8-3-11(9-15(14)22-2)10-16-17-12-4-6-13(7-5-12)18(19)20/h3-10,17H,1-2H3/b16-10-
InChIKeyNQVZORVVVPBZBJ-YBEGLDIGSA-N
XLogP3.06
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.06
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'}

Analyze N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 139068939
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-nitroaniline
CID 110506441
(2R)-2-[2-methoxy-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126019714
N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]aniline
CID 169383316
2-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 56697815
2-[2-methoxy-4-[[(4-nitrophenyl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 110842113
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 124605350
2-chloro-6-methoxy-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135589325
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 9077620

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline?
The IUPAC name of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline (CID 6131990) is N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline?
The canonical SMILES for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline is COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OC.
What is the InChIKey of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline?
The InChIKey is NQVZORVVVPBZBJ-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-14-8-3-11(9-15(14)22-2)10-16-17-12-4-6-13(7-5-12)18(19)20/h3-10,17H,1-2H3/b16-10-.
What are the key properties of N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline?
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline has a molecular weight of 301.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline is sourced from PubChem (CID 6131990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).