6-bromoacridine-4-carboxamide

C14H9BrN2O — CID 174344835

IUPAC6-bromoacridine-4-carboxamide
SMILESNC(=O)c1cccc2cc3ccc(Br)cc3nc12
InChIInChI=1S/C14H9BrN2O/c15-10-5-4-8-6-9-2-1-3-11(14(16)18)13(9)17-12(8)7-10/h1-7H,(H2,16,18)
InChIKeyILXZAWYOLJNKOC-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.25
Rot. Bonds1

About 6-bromoacridine-4-carboxamide

6-bromoacridine-4-carboxamide (PubChem CID 174344835) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 6-bromoacridine-4-carboxamide.

Molecular Properties

Compound Name6-bromoacridine-4-carboxamide
PubChem CID174344835
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name6-bromoacridine-4-carboxamide
SMILESNC(=O)c1cccc2cc3ccc(Br)cc3nc12
InChIInChI=1S/C14H9BrN2O/c15-10-5-4-8-6-9-2-1-3-11(14(16)18)13(9)17-12(8)7-10/h1-7H,(H2,16,18)
InChIKeyILXZAWYOLJNKOC-UHFFFAOYSA-N
XLogP3.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-bromoacridine-4-carboxamide?
The IUPAC name of 6-bromoacridine-4-carboxamide (CID 174344835) is 6-bromoacridine-4-carboxamide.
What is the SMILES notation for 6-bromoacridine-4-carboxamide?
The canonical SMILES for 6-bromoacridine-4-carboxamide is NC(=O)c1cccc2cc3ccc(Br)cc3nc12.
What is the InChIKey of 6-bromoacridine-4-carboxamide?
The InChIKey is ILXZAWYOLJNKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-10-5-4-8-6-9-2-1-3-11(14(16)18)13(9)17-12(8)7-10/h1-7H,(H2,16,18).
What are the key properties of 6-bromoacridine-4-carboxamide?
6-bromoacridine-4-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoacridine-4-carboxamide is sourced from PubChem (CID 174344835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).