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

C18H18BrN3O — CID 10809265

IUPAC7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3cc(Br)ccc3nc12
InChIInChI=1S/C18H18BrN3O/c1-22(2)9-8-20-18(23)15-5-3-4-12-10-13-11-14(19)6-7-16(13)21-17(12)15/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
InChIKeyGRIWGZMHBANYLQ-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.44
Rot. Bonds4

About 7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide

7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide (PubChem CID 10809265) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
PubChem CID10809265
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3cc(Br)ccc3nc12
InChIInChI=1S/C18H18BrN3O/c1-22(2)9-8-20-18(23)15-5-3-4-12-10-13-11-14(19)6-7-16(13)21-17(12)15/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
InChIKeyGRIWGZMHBANYLQ-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 7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The IUPAC name of 7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide (CID 10809265) is 7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide.
What is the SMILES notation for 7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The canonical SMILES for 7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide is CN(C)CCNC(=O)c1cccc2cc3cc(Br)ccc3nc12.
What is the InChIKey of 7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
The InChIKey is GRIWGZMHBANYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-22(2)9-8-20-18(23)15-5-3-4-12-10-13-11-14(19)6-7-16(13)21-17(12)15/h3-7,10-11H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide?
7-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 7-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide is sourced from PubChem (CID 10809265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).