(8-methylbenzo[f]quinolin-6-yl) acetate

C16H13NO2 — CID 171766293

IUPAC(8-methylbenzo[f]quinolin-6-yl) acetate
SMILESCC(=O)Oc1cc2ncccc2c2ccc(C)cc12
InChIInChI=1S/C16H13NO2/c1-10-5-6-12-13-4-3-7-17-15(13)9-16(14(12)8-10)19-11(2)18/h3-9H,1-2H3
InChIKeyOMSSXVVXDZYUFG-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.62
Rot. Bonds1

About (8-methylbenzo[f]quinolin-6-yl) acetate

(8-methylbenzo[f]quinolin-6-yl) acetate (PubChem CID 171766293) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is (8-methylbenzo[f]quinolin-6-yl) acetate.

Molecular Properties

Compound Name(8-methylbenzo[f]quinolin-6-yl) acetate
PubChem CID171766293
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name(8-methylbenzo[f]quinolin-6-yl) acetate
SMILESCC(=O)Oc1cc2ncccc2c2ccc(C)cc12
InChIInChI=1S/C16H13NO2/c1-10-5-6-12-13-4-3-7-17-15(13)9-16(14(12)8-10)19-11(2)18/h3-9H,1-2H3
InChIKeyOMSSXVVXDZYUFG-UHFFFAOYSA-N
XLogP3.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (8-methylbenzo[f]quinolin-6-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-methylbenzo[f]quinolin-6-yl) acetate?
The IUPAC name of (8-methylbenzo[f]quinolin-6-yl) acetate (CID 171766293) is (8-methylbenzo[f]quinolin-6-yl) acetate.
What is the SMILES notation for (8-methylbenzo[f]quinolin-6-yl) acetate?
The canonical SMILES for (8-methylbenzo[f]quinolin-6-yl) acetate is CC(=O)Oc1cc2ncccc2c2ccc(C)cc12.
What is the InChIKey of (8-methylbenzo[f]quinolin-6-yl) acetate?
The InChIKey is OMSSXVVXDZYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-5-6-12-13-4-3-7-17-15(13)9-16(14(12)8-10)19-11(2)18/h3-9H,1-2H3.
What are the key properties of (8-methylbenzo[f]quinolin-6-yl) acetate?
(8-methylbenzo[f]quinolin-6-yl) acetate has a molecular weight of 251.28 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylbenzo[f]quinolin-6-yl) acetate is sourced from PubChem (CID 171766293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).