1-acridin-1-ylbutan-1-one

C17H15NO — CID 174652191

IUPAC1-acridin-1-ylbutan-1-one
SMILESCCCC(=O)c1cccc2nc3ccccc3cc12
InChIInChI=1S/C17H15NO/c1-2-6-17(19)13-8-5-10-16-14(13)11-12-7-3-4-9-15(12)18-16/h3-5,7-11H,2,6H2,1H3
InChIKeyACVVDCXIJSEJFJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.37
Rot. Bonds3

About 1-acridin-1-ylbutan-1-one

1-acridin-1-ylbutan-1-one (PubChem CID 174652191) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-acridin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-acridin-1-ylbutan-1-one
PubChem CID174652191
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-acridin-1-ylbutan-1-one
SMILESCCCC(=O)c1cccc2nc3ccccc3cc12
InChIInChI=1S/C17H15NO/c1-2-6-17(19)13-8-5-10-16-14(13)11-12-7-3-4-9-15(12)18-16/h3-5,7-11H,2,6H2,1H3
InChIKeyACVVDCXIJSEJFJ-UHFFFAOYSA-N
XLogP4.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl acridine-1-carboxylate
CID 54560619
acridine-1-carbonyl acridine-1-carboxylate
CID 54394686
1-methylacridine;hydrochloride
CID 175333750
1-quinolin-2-ylbutan-1-one
CID 14895778
acridine-1-carbothioamide
CID 154008733
1-naphthalen-1-yldodecan-1-one
CID 3424169
bicyclo[3.1.0]hexa-1(6),2,4-triene;1-hexanoylacridine-2-carbaldehyde
CID 174439522
1-naphthalen-1-ylpentane-1,2-dione
CID 69248581
1-chloro-2-ethylacridine
CID 174720098
N-ethyl-N-propylacridin-1-amine
CID 21107283
1-octadecylacridine
CID 87175858
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190

Frequently Asked Questions

What is the IUPAC name of 1-acridin-1-ylbutan-1-one?
The IUPAC name of 1-acridin-1-ylbutan-1-one (CID 174652191) is 1-acridin-1-ylbutan-1-one.
What is the SMILES notation for 1-acridin-1-ylbutan-1-one?
The canonical SMILES for 1-acridin-1-ylbutan-1-one is CCCC(=O)c1cccc2nc3ccccc3cc12.
What is the InChIKey of 1-acridin-1-ylbutan-1-one?
The InChIKey is ACVVDCXIJSEJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-6-17(19)13-8-5-10-16-14(13)11-12-7-3-4-9-15(12)18-16/h3-5,7-11H,2,6H2,1H3.
What are the key properties of 1-acridin-1-ylbutan-1-one?
1-acridin-1-ylbutan-1-one has a molecular weight of 249.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acridin-1-ylbutan-1-one is sourced from PubChem (CID 174652191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).