methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate

C18H15NO3 — CID 122188096

IUPACmethyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccc(=O)c3ccccc32)cc1
InChIInChI=1S/C18H15NO3/c1-22-18(21)14-8-6-13(7-9-14)12-19-11-10-17(20)15-4-2-3-5-16(15)19/h2-11H,12H2,1H3
InChIKeyMBBLNNVAQXJNAV-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.84
Rot. Bonds3

About methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate

methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate (PubChem CID 122188096) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate
PubChem CID122188096
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2ccc(=O)c3ccccc32)cc1
InChIInChI=1S/C18H15NO3/c1-22-18(21)14-8-6-13(7-9-14)12-19-11-10-17(20)15-4-2-3-5-16(15)19/h2-11H,12H2,1H3
InChIKeyMBBLNNVAQXJNAV-UHFFFAOYSA-N
XLogP2.84
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate (CID 122188096) is methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate is COC(=O)c1ccc(Cn2ccc(=O)c3ccccc32)cc1.
What is the InChIKey of methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate?
The InChIKey is MBBLNNVAQXJNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-22-18(21)14-8-6-13(7-9-14)12-19-11-10-17(20)15-4-2-3-5-16(15)19/h2-11H,12H2,1H3.
What are the key properties of methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate?
methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate has a molecular weight of 293.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-oxoquinolin-1-yl)methyl]benzoate is sourced from PubChem (CID 122188096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).