10-propylacridin-3-one

C16H15NO — CID 158430562

IUPAC10-propylacridin-3-one
SMILESCCCn1c2cc(=O)ccc-2cc2ccccc21
InChIInChI=1S/C16H15NO/c1-2-9-17-15-6-4-3-5-12(15)10-13-7-8-14(18)11-16(13)17/h3-8,10-11H,2,9H2,1H3
InChIKeyHBPKBQQHESNZNP-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.52
Rot. Bonds2

About 10-propylacridin-3-one

10-propylacridin-3-one (PubChem CID 158430562) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 10-propylacridin-3-one.

Molecular Properties

Compound Name10-propylacridin-3-one
PubChem CID158430562
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name10-propylacridin-3-one
SMILESCCCn1c2cc(=O)ccc-2cc2ccccc21
InChIInChI=1S/C16H15NO/c1-2-9-17-15-6-4-3-5-12(15)10-13-7-8-14(18)11-16(13)17/h3-8,10-11H,2,9H2,1H3
InChIKeyHBPKBQQHESNZNP-UHFFFAOYSA-N
XLogP3.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.52
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

hydrogen sulfite;2-phenyl-1-propylindole
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1-butyl-2-(4-nitrophenyl)indole
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ethane;trimethyl-(1-propylindol-2-yl)silane
CID 91266795
3-phenyl-2-propylisoquinolin-1-one
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10-dodecylphenazin-2-one
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6-nitro-1-propylquinolin-2-one;1-propylquinolin-2-one
CID 158476838
1-(3-methylbut-3-enyl)-2-phenylindole
CID 114476740
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
1-phenyl-3-(2-phenylindol-1-yl)propan-1-one
CID 151018616
3-bromo-1-ethylquinolin-2-one
CID 116985609

Frequently Asked Questions

What is the IUPAC name of 10-propylacridin-3-one?
The IUPAC name of 10-propylacridin-3-one (CID 158430562) is 10-propylacridin-3-one.
What is the SMILES notation for 10-propylacridin-3-one?
The canonical SMILES for 10-propylacridin-3-one is CCCn1c2cc(=O)ccc-2cc2ccccc21.
What is the InChIKey of 10-propylacridin-3-one?
The InChIKey is HBPKBQQHESNZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-9-17-15-6-4-3-5-12(15)10-13-7-8-14(18)11-16(13)17/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 10-propylacridin-3-one?
10-propylacridin-3-one has a molecular weight of 237.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propylacridin-3-one is sourced from PubChem (CID 158430562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).