5-bromoacridine-4-carboxamide

C14H9BrN2O — CID 174361134

IUPAC5-bromoacridine-4-carboxamide
SMILESNC(=O)c1cccc2cc3cccc(Br)c3nc12
InChIInChI=1S/C14H9BrN2O/c15-11-6-2-4-9-7-8-3-1-5-10(14(16)18)12(8)17-13(9)11/h1-7H,(H2,16,18)
InChIKeyMRFOZWUZAILXAY-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.25
Rot. Bonds1

About 5-bromoacridine-4-carboxamide

5-bromoacridine-4-carboxamide (PubChem CID 174361134) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 5-bromoacridine-4-carboxamide.

Molecular Properties

Compound Name5-bromoacridine-4-carboxamide
PubChem CID174361134
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name5-bromoacridine-4-carboxamide
SMILESNC(=O)c1cccc2cc3cccc(Br)c3nc12
InChIInChI=1S/C14H9BrN2O/c15-11-6-2-4-9-7-8-3-1-5-10(14(16)18)12(8)17-13(9)11/h1-7H,(H2,16,18)
InChIKeyMRFOZWUZAILXAY-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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Related Compounds

6-bromoacridine-4-carboxamide
CID 174344835
acridine-4-carboxamide
CID 3025721
8-bromoquinoline-2-carboxamide
CID 610197
6-fluoroacridine-4-carboxamide
CID 174361752
8-bromoquinoline-3-carboxylic acid;hydrate
CID 71710960
2,3-diphenylquinoline-8-carboxamide
CID 174821968
6-(trifluoromethyl)acridine-4-carboxamide
CID 174361443
2-chloroquinoline-8-carboxamide
CID 118665273
2-(8-bromo-2-chloroquinolin-3-yl)acetic acid
CID 84644580
2-bromobenzamide;hydrochloride
CID 68911907
2,1-benzoxazole-7-carboxamide
CID 68873246
(8-bromoquinolin-3-yl) carbamate
CID 175146907

Frequently Asked Questions

What is the IUPAC name of 5-bromoacridine-4-carboxamide?
The IUPAC name of 5-bromoacridine-4-carboxamide (CID 174361134) is 5-bromoacridine-4-carboxamide.
What is the SMILES notation for 5-bromoacridine-4-carboxamide?
The canonical SMILES for 5-bromoacridine-4-carboxamide is NC(=O)c1cccc2cc3cccc(Br)c3nc12.
What is the InChIKey of 5-bromoacridine-4-carboxamide?
The InChIKey is MRFOZWUZAILXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-11-6-2-4-9-7-8-3-1-5-10(14(16)18)12(8)17-13(9)11/h1-7H,(H2,16,18).
What are the key properties of 5-bromoacridine-4-carboxamide?
5-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 5-bromoacridine-4-carboxamide is sourced from PubChem (CID 174361134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).