10-(3-bromo-2,2-dimethylpropyl)acridin-9-one

C18H18BrNO — CID 64994942

IUPAC10-(3-bromo-2,2-dimethylpropyl)acridin-9-one
SMILESCC(C)(CBr)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C18H18BrNO/c1-18(2,11-19)12-20-15-9-5-3-7-13(15)17(21)14-8-4-6-10-16(14)20/h3-10H,11-12H2,1-2H3
InChIKeyIIALAVJJMCUQCG-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.58
Rot. Bonds3

About 10-(3-bromo-2,2-dimethylpropyl)acridin-9-one

10-(3-bromo-2,2-dimethylpropyl)acridin-9-one (PubChem CID 64994942) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 10-(3-bromo-2,2-dimethylpropyl)acridin-9-one.

Molecular Properties

Compound Name10-(3-bromo-2,2-dimethylpropyl)acridin-9-one
PubChem CID64994942
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name10-(3-bromo-2,2-dimethylpropyl)acridin-9-one
SMILESCC(C)(CBr)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C18H18BrNO/c1-18(2,11-19)12-20-15-9-5-3-7-13(15)17(21)14-8-4-6-10-16(14)20/h3-10H,11-12H2,1-2H3
InChIKeyIIALAVJJMCUQCG-UHFFFAOYSA-N
XLogP4.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(3-bromo-2,2-dimethylpropyl)acridin-9-one?
The IUPAC name of 10-(3-bromo-2,2-dimethylpropyl)acridin-9-one (CID 64994942) is 10-(3-bromo-2,2-dimethylpropyl)acridin-9-one.
What is the SMILES notation for 10-(3-bromo-2,2-dimethylpropyl)acridin-9-one?
The canonical SMILES for 10-(3-bromo-2,2-dimethylpropyl)acridin-9-one is CC(C)(CBr)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 10-(3-bromo-2,2-dimethylpropyl)acridin-9-one?
The InChIKey is IIALAVJJMCUQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-18(2,11-19)12-20-15-9-5-3-7-13(15)17(21)14-8-4-6-10-16(14)20/h3-10H,11-12H2,1-2H3.
What are the key properties of 10-(3-bromo-2,2-dimethylpropyl)acridin-9-one?
10-(3-bromo-2,2-dimethylpropyl)acridin-9-one has a molecular weight of 344.25 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-bromo-2,2-dimethylpropyl)acridin-9-one is sourced from PubChem (CID 64994942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).