(2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate

C18H15NO3 — CID 663555

IUPAC(2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C18H15NO3/c1-12-5-4-7-14(9-12)18(21)22-11-15-10-13-6-2-3-8-16(13)19-17(15)20/h2-10H,11H2,1H3,(H,19,20)
InChIKeyAVIUSLJDVAOCLX-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.19
Rot. Bonds3

About (2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate

(2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate (PubChem CID 663555) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate
PubChem CID663555
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C18H15NO3/c1-12-5-4-7-14(9-12)18(21)22-11-15-10-13-6-2-3-8-16(13)19-17(15)20/h2-10H,11H2,1H3,(H,19,20)
InChIKeyAVIUSLJDVAOCLX-UHFFFAOYSA-N
XLogP3.19
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate (CID 663555) is (2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate is Cc1cccc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate?
The InChIKey is AVIUSLJDVAOCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-5-4-7-14(9-12)18(21)22-11-15-10-13-6-2-3-8-16(13)19-17(15)20/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate?
(2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate has a molecular weight of 293.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl 3-methylbenzoate is sourced from PubChem (CID 663555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).