N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide

C20H20N4O2 — CID 90673700

IUPACN'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cccc2c1C(=O)c1cccc(/N=C/N(C)C)c1C2=O
InChIInChI=1S/C20H20N4O2/c1-23(2)11-21-15-9-5-7-13-17(15)19(25)14-8-6-10-16(18(14)20(13)26)22-12-24(3)4/h5-12H,1-4H3/b21-11+,22-12+
InChIKeyPEBISXXUVDBXQX-XHQRYOPUSA-N
MW348.41 g/mol
LogP2.90
Rot. Bonds4

About N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide

N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide (PubChem CID 90673700) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide
PubChem CID90673700
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cccc2c1C(=O)c1cccc(/N=C/N(C)C)c1C2=O
InChIInChI=1S/C20H20N4O2/c1-23(2)11-21-15-9-5-7-13-17(15)19(25)14-8-6-10-16(18(14)20(13)26)22-12-24(3)4/h5-12H,1-4H3/b21-11+,22-12+
InChIKeyPEBISXXUVDBXQX-XHQRYOPUSA-N
XLogP2.90
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide (CID 90673700) is N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1cccc2c1C(=O)c1cccc(/N=C/N(C)C)c1C2=O.
What is the InChIKey of N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide?
The InChIKey is PEBISXXUVDBXQX-XHQRYOPUSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23(2)11-21-15-9-5-7-13-17(15)19(25)14-8-6-10-16(18(14)20(13)26)22-12-24(3)4/h5-12H,1-4H3/b21-11+,22-12+.
What are the key properties of N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide?
N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide has a molecular weight of 348.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(dimethylaminomethylideneamino)-9,10-dioxoanthracen-1-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 90673700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).