methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate

C18H15NO3 — CID 1482374

IUPACmethyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1cn(C)c2ccccc2c1=O
InChIInChI=1S/C18H15NO3/c1-19-11-15(17(20)14-9-5-6-10-16(14)19)12-7-3-4-8-13(12)18(21)22-2/h3-11H,1-2H3
InChIKeyZPXUBHKCEZIGDF-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.99
Rot. Bonds2

About methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate

methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate (PubChem CID 1482374) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate
PubChem CID1482374
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1cn(C)c2ccccc2c1=O
InChIInChI=1S/C18H15NO3/c1-19-11-15(17(20)14-9-5-6-10-16(14)19)12-7-3-4-8-13(12)18(21)22-2/h3-11H,1-2H3
InChIKeyZPXUBHKCEZIGDF-UHFFFAOYSA-N
XLogP2.99
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate?
The IUPAC name of methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate (CID 1482374) is methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate.
What is the SMILES notation for methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate?
The canonical SMILES for methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate is COC(=O)c1ccccc1-c1cn(C)c2ccccc2c1=O.
What is the InChIKey of methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate?
The InChIKey is ZPXUBHKCEZIGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-19-11-15(17(20)14-9-5-6-10-16(14)19)12-7-3-4-8-13(12)18(21)22-2/h3-11H,1-2H3.
What are the key properties of methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate?
methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate has a molecular weight of 293.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methyl-4-oxoquinolin-3-yl)benzoate is sourced from PubChem (CID 1482374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).