(9-oxoacridin-10-yl) hexanoate

C19H19NO3 — CID 154249788

IUPAC(9-oxoacridin-10-yl) hexanoate
SMILESCCCCCC(=O)On1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-2-3-4-13-18(21)23-20-16-11-7-5-9-14(16)19(22)15-10-6-8-12-17(15)20/h5-12H,2-4,13H2,1H3
InChIKeyNVLHLCQVLHYJFE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.69
Rot. Bonds5

About (9-oxoacridin-10-yl) hexanoate

(9-oxoacridin-10-yl) hexanoate (PubChem CID 154249788) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (9-oxoacridin-10-yl) hexanoate.

Molecular Properties

Compound Name(9-oxoacridin-10-yl) hexanoate
PubChem CID154249788
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(9-oxoacridin-10-yl) hexanoate
SMILESCCCCCC(=O)On1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C19H19NO3/c1-2-3-4-13-18(21)23-20-16-11-7-5-9-14(16)19(22)15-10-6-8-12-17(15)20/h5-12H,2-4,13H2,1H3
InChIKeyNVLHLCQVLHYJFE-UHFFFAOYSA-N
XLogP3.69
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(2-oxoquinolin-1-yl) undecanoate
CID 57076345
(3-hydroxyindol-1-yl) octadecanoate
CID 67190886
(2,5-dihydroxypyrrol-1-yl) 6-(2-acetamido-9-oxoacridin-10-yl)hexanoate
CID 91365148
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
(1,3-dichloroindol-2-yl) octanoate
CID 66912478
(13-hexanoyloxy-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl) hexanoate
CID 87902888
hexadecanoyl 3-formylindole-1-carboperoxoate
CID 175399392
[3-(hydroxymethyl)indol-1-yl]methyl octanoate
CID 171593267
(2,5-dihydroxypyrrol-1-yl) tetracos-15-enoate
CID 91123132
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
(2-nonanoyloxyphenyl) undecanoate
CID 90023956
pyrrol-1-yl hexadecanoate
CID 174900784

Frequently Asked Questions

What is the IUPAC name of (9-oxoacridin-10-yl) hexanoate?
The IUPAC name of (9-oxoacridin-10-yl) hexanoate (CID 154249788) is (9-oxoacridin-10-yl) hexanoate.
What is the SMILES notation for (9-oxoacridin-10-yl) hexanoate?
The canonical SMILES for (9-oxoacridin-10-yl) hexanoate is CCCCCC(=O)On1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of (9-oxoacridin-10-yl) hexanoate?
The InChIKey is NVLHLCQVLHYJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-3-4-13-18(21)23-20-16-11-7-5-9-14(16)19(22)15-10-6-8-12-17(15)20/h5-12H,2-4,13H2,1H3.
What are the key properties of (9-oxoacridin-10-yl) hexanoate?
(9-oxoacridin-10-yl) hexanoate has a molecular weight of 309.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-oxoacridin-10-yl) hexanoate is sourced from PubChem (CID 154249788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).