ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate

C16H17NO5 — CID 46907088

IUPACethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cc(C)c2ccc(OC(C)=O)cc21
InChIInChI=1S/C16H17NO5/c1-4-21-16(20)9-17-14-8-12(22-11(3)18)5-6-13(14)10(2)7-15(17)19/h5-8H,4,9H2,1-3H3
InChIKeyOJGFXGDDPOZFSB-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate

ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate (PubChem CID 46907088) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate
PubChem CID46907088
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Nameethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cc(C)c2ccc(OC(C)=O)cc21
InChIInChI=1S/C16H17NO5/c1-4-21-16(20)9-17-14-8-12(22-11(3)18)5-6-13(14)10(2)7-15(17)19/h5-8H,4,9H2,1-3H3
InChIKeyOJGFXGDDPOZFSB-UHFFFAOYSA-N
XLogP1.80
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate (CID 46907088) is ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate is CCOC(=O)Cn1c(=O)cc(C)c2ccc(OC(C)=O)cc21.
What is the InChIKey of ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate?
The InChIKey is OJGFXGDDPOZFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-4-21-16(20)9-17-14-8-12(22-11(3)18)5-6-13(14)10(2)7-15(17)19/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate?
ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate has a molecular weight of 303.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-acetyloxy-4-methyl-2-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 46907088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).