(1,3-dimethyl-2-oxoquinolin-4-yl) acetate

C13H13NO3 — CID 1042710

IUPAC(1,3-dimethyl-2-oxoquinolin-4-yl) acetate
SMILESCC(=O)Oc1c(C)c(=O)n(C)c2ccccc12
InChIInChI=1S/C13H13NO3/c1-8-12(17-9(2)15)10-6-4-5-7-11(10)14(3)13(8)16/h4-7H,1-3H3
InChIKeySEGUOEKQOADUBB-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.77
Rot. Bonds1

About (1,3-dimethyl-2-oxoquinolin-4-yl) acetate

(1,3-dimethyl-2-oxoquinolin-4-yl) acetate (PubChem CID 1042710) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (1,3-dimethyl-2-oxoquinolin-4-yl) acetate.

Molecular Properties

Compound Name(1,3-dimethyl-2-oxoquinolin-4-yl) acetate
PubChem CID1042710
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(1,3-dimethyl-2-oxoquinolin-4-yl) acetate
SMILESCC(=O)Oc1c(C)c(=O)n(C)c2ccccc12
InChIInChI=1S/C13H13NO3/c1-8-12(17-9(2)15)10-6-4-5-7-11(10)14(3)13(8)16/h4-7H,1-3H3
InChIKeySEGUOEKQOADUBB-UHFFFAOYSA-N
XLogP1.77
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester
CID 54682929
4-Hydroxy-N-methylcarbostyril
CID 54686436
Flindersine
CID 68230
4-methoxy-N-methyl-2-quinolone
CID 182073
Ethyl 1-ethyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylate
CID 54680568
4-Methoxy-3-(3-methyl-1,3-butadienyl)-2(1H)-quinolinone
CID 131752802
2(1H)-Quinolinone, 4-(benzoyloxy)-1-phenyl-
CID 2786126
6-benzyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54696637
1-Butyl-4-hydroxy-2-quinolone
CID 54676155
Ethyl 1-butyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54676404
1-Ethyl-4-hydroxyquinolin-2(1H)-one
CID 54684641
3-Acetyl-4-hydroxy-1-methyl-2(1H)-quinolinone
CID 54697138

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-2-oxoquinolin-4-yl) acetate?
The IUPAC name of (1,3-dimethyl-2-oxoquinolin-4-yl) acetate (CID 1042710) is (1,3-dimethyl-2-oxoquinolin-4-yl) acetate.
What is the SMILES notation for (1,3-dimethyl-2-oxoquinolin-4-yl) acetate?
The canonical SMILES for (1,3-dimethyl-2-oxoquinolin-4-yl) acetate is CC(=O)Oc1c(C)c(=O)n(C)c2ccccc12.
What is the InChIKey of (1,3-dimethyl-2-oxoquinolin-4-yl) acetate?
The InChIKey is SEGUOEKQOADUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-12(17-9(2)15)10-6-4-5-7-11(10)14(3)13(8)16/h4-7H,1-3H3.
What are the key properties of (1,3-dimethyl-2-oxoquinolin-4-yl) acetate?
(1,3-dimethyl-2-oxoquinolin-4-yl) acetate has a molecular weight of 231.25 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-2-oxoquinolin-4-yl) acetate is sourced from PubChem (CID 1042710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).