N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

C24H21N5O4 — CID 2883540

IUPACN-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCN(C)c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1[N+](=O)[O-]
InChIInChI=1S/C24H21N5O4/c1-27(2)21-12-11-16(13-22(21)29(32)33)14-25-26-23(30)15-28-19-9-5-3-7-17(19)24(31)18-8-4-6-10-20(18)28/h3-14H,15H2,1-2H3,(H,26,30)
InChIKeyKYZCOZAFXKHHLW-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.28
Rot. Bonds6

About N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide

N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 2883540) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID2883540
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC NameN-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
SMILESCN(C)c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1[N+](=O)[O-]
InChIInChI=1S/C24H21N5O4/c1-27(2)21-12-11-16(13-22(21)29(32)33)14-25-26-23(30)15-28-19-9-5-3-7-17(19)24(31)18-8-4-6-10-20(18)28/h3-14H,15H2,1-2H3,(H,26,30)
InChIKeyKYZCOZAFXKHHLW-UHFFFAOYSA-N
XLogP3.28
TPSA109.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide 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-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 136829057
N-[[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 3894579
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 6381487
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 75123865
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005160
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 98005141
N'-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5222623
N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 26368133
N'-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-N-(3,4-dimethylphenyl)propanediamide
CID 3466247
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135900957
N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 6229195
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 135905091

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide (CID 2883540) is N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is CN(C)c1ccc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1[N+](=O)[O-].
What is the InChIKey of N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is KYZCOZAFXKHHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-27(2)21-12-11-16(13-22(21)29(32)33)14-25-26-23(30)15-28-19-9-5-3-7-17(19)24(31)18-8-4-6-10-20(18)28/h3-14H,15H2,1-2H3,(H,26,30).
What are the key properties of N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide?
N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 443.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-3-nitrophenyl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 2883540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).