(1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate

C13H15NO5 — CID 135037968

IUPAC(1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate
SMILESCOc1ccc(OC(C)=O)c2c1N(OC)C(=O)CC2
InChIInChI=1S/C13H15NO5/c1-8(15)19-10-5-6-11(17-2)13-9(10)4-7-12(16)14(13)18-3/h5-6H,4,7H2,1-3H3
InChIKeyOOCMEHTYGJFMMV-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.46
Rot. Bonds3

About (1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate

(1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate (PubChem CID 135037968) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate.

Molecular Properties

Compound Name(1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate
PubChem CID135037968
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate
SMILESCOc1ccc(OC(C)=O)c2c1N(OC)C(=O)CC2
InChIInChI=1S/C13H15NO5/c1-8(15)19-10-5-6-11(17-2)13-9(10)4-7-12(16)14(13)18-3/h5-6H,4,7H2,1-3H3
InChIKeyOOCMEHTYGJFMMV-UHFFFAOYSA-N
XLogP1.46
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate?
The IUPAC name of (1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate (CID 135037968) is (1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate.
What is the SMILES notation for (1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate?
The canonical SMILES for (1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate is COc1ccc(OC(C)=O)c2c1N(OC)C(=O)CC2.
What is the InChIKey of (1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate?
The InChIKey is OOCMEHTYGJFMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8(15)19-10-5-6-11(17-2)13-9(10)4-7-12(16)14(13)18-3/h5-6H,4,7H2,1-3H3.
What are the key properties of (1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate?
(1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate has a molecular weight of 265.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-dimethoxy-2-oxo-3,4-dihydroquinolin-5-yl) acetate is sourced from PubChem (CID 135037968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).