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

C18H18BrN3O — CID 10761771

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3cccc(Br)c3nc12
InChIInChI=1S/C18H18BrN3O/c1-22(2)10-9-20-18(23)14-7-3-5-12-11-13-6-4-8-15(19)17(13)21-16(12)14/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeySVAFTLSWYAJEAD-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.44
Rot. Bonds4

About 5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide

5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide (PubChem CID 10761771) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
PubChem CID10761771
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3cccc(Br)c3nc12
InChIInChI=1S/C18H18BrN3O/c1-22(2)10-9-20-18(23)14-7-3-5-12-11-13-6-4-8-15(19)17(13)21-16(12)14/h3-8,11H,9-10H2,1-2H3,(H,20,23)
InChIKeySVAFTLSWYAJEAD-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide (CID 10761771) is 5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide is CN(C)CCNC(=O)c1cccc2cc3cccc(Br)c3nc12.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The InChIKey is SVAFTLSWYAJEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-22(2)10-9-20-18(23)14-7-3-5-12-11-13-6-4-8-15(19)17(13)21-16(12)14/h3-8,11H,9-10H2,1-2H3,(H,20,23).
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
5-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 5-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide is sourced from PubChem (CID 10761771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).