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

C17H13NO3 — CID 664207

IUPAC(2-oxo-1H-quinolin-3-yl)methyl benzoate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C17H13NO3/c19-16-14(10-13-8-4-5-9-15(13)18-16)11-21-17(20)12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19)
InChIKeyVDJLLPPBHUVUQW-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.89
Rot. Bonds3

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

(2-oxo-1H-quinolin-3-yl)methyl benzoate (PubChem CID 664207) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl benzoate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl benzoate
PubChem CID664207
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl benzoate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C17H13NO3/c19-16-14(10-13-8-4-5-9-15(13)18-16)11-21-17(20)12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19)
InChIKeyVDJLLPPBHUVUQW-UHFFFAOYSA-N
XLogP2.89
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.89
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 benzoate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl benzoate (CID 664207) is (2-oxo-1H-quinolin-3-yl)methyl benzoate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl benzoate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl benzoate is O=C(OCc1cc2ccccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl benzoate?
The InChIKey is VDJLLPPBHUVUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16-14(10-13-8-4-5-9-15(13)18-16)11-21-17(20)12-6-2-1-3-7-12/h1-10H,11H2,(H,18,19).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl benzoate?
(2-oxo-1H-quinolin-3-yl)methyl benzoate has a molecular weight of 279.30 g/mol, XLogP of 2.89, 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 benzoate is sourced from PubChem (CID 664207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).