methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate

C14H15NO3 — CID 99991412

IUPACmethyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)c(=O)cc(C)n2C
InChIInChI=1S/C14H15NO3/c1-9-6-13(16)11-7-10(8-14(17)18-3)4-5-12(11)15(9)2/h4-7H,8H2,1-3H3
InChIKeyVEYXBTKTEMBZHF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.56
Rot. Bonds2

About methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate

methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate (PubChem CID 99991412) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate
PubChem CID99991412
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate
SMILESCOC(=O)Cc1ccc2c(c1)c(=O)cc(C)n2C
InChIInChI=1S/C14H15NO3/c1-9-6-13(16)11-7-10(8-14(17)18-3)4-5-12(11)15(9)2/h4-7H,8H2,1-3H3
InChIKeyVEYXBTKTEMBZHF-UHFFFAOYSA-N
XLogP1.56
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-1,2-dimethylquinolin-4-one
CID 130032779
[4-(2-methoxy-2-oxoethyl)-2-methylphenyl]iodanium
CID 142822061
CID 89359117
CID 89359117
methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
methyl 2-(1,4-dimethyl-2-oxoquinolin-3-yl)acetate
CID 13405582
tert-butyl 3-[5-(2-methoxy-2-oxoethyl)indol-1-yl]propanoate
CID 135262915
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110772244
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
methyl 2-[7-(2-methoxy-2-oxoethyl)thianthren-2-yl]acetate
CID 19906740
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-quinazolin-6-ylacetate
CID 67429396

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate?
The IUPAC name of methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate (CID 99991412) is methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate.
What is the SMILES notation for methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate?
The canonical SMILES for methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate is COC(=O)Cc1ccc2c(c1)c(=O)cc(C)n2C.
What is the InChIKey of methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate?
The InChIKey is VEYXBTKTEMBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-6-13(16)11-7-10(8-14(17)18-3)4-5-12(11)15(9)2/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate?
methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2-dimethyl-4-oxoquinolin-6-yl)acetate is sourced from PubChem (CID 99991412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).