6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide

C18H18BrN3O — CID 10523297

IUPAC6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3ccc(Br)cc3nc12
InChIInChI=1S/C18H18BrN3O/c1-22(2)9-8-20-18(23)15-5-3-4-13-10-12-6-7-14(19)11-16(12)21-17(13)15/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
InChIKeyWDCZSYFZALTCGQ-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.44
Rot. Bonds4

About 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide

6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide (PubChem CID 10523297) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
PubChem CID10523297
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3ccc(Br)cc3nc12
InChIInChI=1S/C18H18BrN3O/c1-22(2)9-8-20-18(23)15-5-3-4-13-10-12-6-7-14(19)11-16(12)21-17(13)15/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
InChIKeyWDCZSYFZALTCGQ-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide 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 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The IUPAC name of 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide (CID 10523297) is 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide is CN(C)CCNC(=O)c1cccc2cc3ccc(Br)cc3nc12.
What is the InChIKey of 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The InChIKey is WDCZSYFZALTCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-22(2)9-8-20-18(23)15-5-3-4-13-10-12-6-7-14(19)11-16(12)21-17(13)15/h3-7,10-11H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide has a molecular weight of 372.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide is sourced from PubChem (CID 10523297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).