(2-methylquinolin-7-yl) acetate

C12H11NO2 — CID 119085937

IUPAC(2-methylquinolin-7-yl) acetate
SMILESCC(=O)Oc1ccc2ccc(C)nc2c1
InChIInChI=1S/C12H11NO2/c1-8-3-4-10-5-6-11(15-9(2)14)7-12(10)13-8/h3-7H,1-2H3
InChIKeyPHZMUICSCNXZRW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.47
Rot. Bonds1

About (2-methylquinolin-7-yl) acetate

(2-methylquinolin-7-yl) acetate (PubChem CID 119085937) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2-methylquinolin-7-yl) acetate.

Molecular Properties

Compound Name(2-methylquinolin-7-yl) acetate
PubChem CID119085937
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(2-methylquinolin-7-yl) acetate
SMILESCC(=O)Oc1ccc2ccc(C)nc2c1
InChIInChI=1S/C12H11NO2/c1-8-3-4-10-5-6-11(15-9(2)14)7-12(10)13-8/h3-7H,1-2H3
InChIKeyPHZMUICSCNXZRW-UHFFFAOYSA-N
XLogP2.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-methylquinolin-7-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

Related Compounds

(2-chloroquinolin-7-yl) acetate
CID 174716501
quinoxalino[2,3-a]phenazin-3-yl acetate
CID 15249326
(2-chloro-6-methyl-4-pyridinyl) acetate
CID 174361244
(6-hydroxyanthracen-2-yl) acetate
CID 58800514
(2-methylquinolin-6-yl) pyrrolidine-1-carboxylate
CID 59825519
methyl 6-acetyloxyquinoline-2-carboxylate
CID 90723488
(2,4-dichloroquinazolin-6-yl) acetate
CID 101166088
(4-methylquinazolin-6-yl) acetate
CID 163492929
(3-amino-4-methylphenyl) acetate
CID 66838768
(9-acetyloxyphenazin-2-yl) acetate
CID 611477
(4-methylphenyl) acetate;zinc
CID 159589232
6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-7-yl) acetate?
The IUPAC name of (2-methylquinolin-7-yl) acetate (CID 119085937) is (2-methylquinolin-7-yl) acetate.
What is the SMILES notation for (2-methylquinolin-7-yl) acetate?
The canonical SMILES for (2-methylquinolin-7-yl) acetate is CC(=O)Oc1ccc2ccc(C)nc2c1.
What is the InChIKey of (2-methylquinolin-7-yl) acetate?
The InChIKey is PHZMUICSCNXZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-3-4-10-5-6-11(15-9(2)14)7-12(10)13-8/h3-7H,1-2H3.
What are the key properties of (2-methylquinolin-7-yl) acetate?
(2-methylquinolin-7-yl) acetate has a molecular weight of 201.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-7-yl) acetate is sourced from PubChem (CID 119085937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).