(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate

C14H13NO5 — CID 19776662

IUPAC(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
SMILESCC(=O)Oc1c(OC(C)=O)c2ccccc2n(C)c1=O
InChIInChI=1S/C14H13NO5/c1-8(16)19-12-10-6-4-5-7-11(10)15(3)14(18)13(12)20-9(2)17/h4-7H,1-3H3
InChIKeyPTKNLMMMHKZOOH-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.39
Rot. Bonds2

About (3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate

(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate (PubChem CID 19776662) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is (3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
PubChem CID19776662
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate
SMILESCC(=O)Oc1c(OC(C)=O)c2ccccc2n(C)c1=O
InChIInChI=1S/C14H13NO5/c1-8(16)19-12-10-6-4-5-7-11(10)15(3)14(18)13(12)20-9(2)17/h4-7H,1-3H3
InChIKeyPTKNLMMMHKZOOH-UHFFFAOYSA-N
XLogP1.39
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-methyl-2-oxo-3-(1H-pyrrole-2-carbonyloxy)quinolin-4-yl] 1H-pyrrole-2-carboxylate
CID 19776650
(7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate
CID 139717866
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
(1-acetyl-2-methylindol-3-yl) acetate
CID 15565752
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
(1,2-diacetylindol-3-yl) acetate
CID 31196222
[6-fluoro-1-methyl-2-oxo-3-(phenylcarbamoyl)quinolin-4-yl] acetate
CID 56959690
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
[3-hydroxy-1-(4-methoxy-1-methyl-2-oxoquinolin-3-yl)butan-2-yl] acetate
CID 162888256
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
1,3-dimethyl-4-phenoxyquinolin-2-one
CID 151532277
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate?
The IUPAC name of (3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate (CID 19776662) is (3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate.
What is the SMILES notation for (3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate?
The canonical SMILES for (3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate is CC(=O)Oc1c(OC(C)=O)c2ccccc2n(C)c1=O.
What is the InChIKey of (3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate?
The InChIKey is PTKNLMMMHKZOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-8(16)19-12-10-6-4-5-7-11(10)15(3)14(18)13(12)20-9(2)17/h4-7H,1-3H3.
What are the key properties of (3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate?
(3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate has a molecular weight of 275.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-1-methyl-2-oxoquinolin-4-yl) acetate is sourced from PubChem (CID 19776662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).