6-(9-oxoacridin-10-yl)hexanoic acid

C19H19NO3 — CID 10193193

IUPAC6-(9-oxoacridin-10-yl)hexanoic acid
SMILESO=C(O)CCCCCn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C19H19NO3/c21-18(22)12-2-1-7-13-20-16-10-5-3-8-14(16)19(23)15-9-4-6-11-17(15)20/h3-6,8-11H,1-2,7,12-13H2,(H,21,22)
InChIKeyUGFSLVCFIXAHDY-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.80
Rot. Bonds6

About 6-(9-oxoacridin-10-yl)hexanoic acid

6-(9-oxoacridin-10-yl)hexanoic acid (PubChem CID 10193193) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(9-oxoacridin-10-yl)hexanoic acid.

Molecular Properties

Compound Name6-(9-oxoacridin-10-yl)hexanoic acid
PubChem CID10193193
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name6-(9-oxoacridin-10-yl)hexanoic acid
SMILESO=C(O)CCCCCn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C19H19NO3/c21-18(22)12-2-1-7-13-20-16-10-5-3-8-14(16)19(23)15-9-4-6-11-17(15)20/h3-6,8-11H,1-2,7,12-13H2,(H,21,22)
InChIKeyUGFSLVCFIXAHDY-UHFFFAOYSA-N
XLogP3.80
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 6-(9-oxoacridin-10-yl)hexanoic acid?
The IUPAC name of 6-(9-oxoacridin-10-yl)hexanoic acid (CID 10193193) is 6-(9-oxoacridin-10-yl)hexanoic acid.
What is the SMILES notation for 6-(9-oxoacridin-10-yl)hexanoic acid?
The canonical SMILES for 6-(9-oxoacridin-10-yl)hexanoic acid is O=C(O)CCCCCn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 6-(9-oxoacridin-10-yl)hexanoic acid?
The InChIKey is UGFSLVCFIXAHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(22)12-2-1-7-13-20-16-10-5-3-8-14(16)19(23)15-9-4-6-11-17(15)20/h3-6,8-11H,1-2,7,12-13H2,(H,21,22).
What are the key properties of 6-(9-oxoacridin-10-yl)hexanoic acid?
6-(9-oxoacridin-10-yl)hexanoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-oxoacridin-10-yl)hexanoic acid is sourced from PubChem (CID 10193193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).