(2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate

C20H18N2O3 — CID 71339502

IUPAC(2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)Oc2cccc3ccc(C)nc23)cc1
InChIInChI=1S/C20H18N2O3/c1-13-6-9-16-4-3-5-18(20(16)21-13)25-19(24)12-15-7-10-17(11-8-15)22-14(2)23/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyJGUWBIDVHHPTRS-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.65
Rot. Bonds4

About (2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate

(2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate (PubChem CID 71339502) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name(2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate
PubChem CID71339502
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)Oc2cccc3ccc(C)nc23)cc1
InChIInChI=1S/C20H18N2O3/c1-13-6-9-16-4-3-5-18(20(16)21-13)25-19(24)12-15-7-10-17(11-8-15)22-14(2)23/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyJGUWBIDVHHPTRS-UHFFFAOYSA-N
XLogP3.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate?
The IUPAC name of (2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate (CID 71339502) is (2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for (2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate?
The canonical SMILES for (2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)Oc2cccc3ccc(C)nc23)cc1.
What is the InChIKey of (2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate?
The InChIKey is JGUWBIDVHHPTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13-6-9-16-4-3-5-18(20(16)21-13)25-19(24)12-15-7-10-17(11-8-15)22-14(2)23/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of (2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate?
(2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate has a molecular weight of 334.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl) 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 71339502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).