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

C19H17NO4 — CID 56789957

IUPAC(2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C19H17NO4/c1-23-11-13-5-4-7-15(9-13)19(22)24-12-16-10-14-6-2-3-8-17(14)20-18(16)21/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyFWDSKISZKCACKA-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.03
Rot. Bonds5

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

(2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate (PubChem CID 56789957) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate
PubChem CID56789957
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C19H17NO4/c1-23-11-13-5-4-7-15(9-13)19(22)24-12-16-10-14-6-2-3-8-17(14)20-18(16)21/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyFWDSKISZKCACKA-UHFFFAOYSA-N
XLogP3.03
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate (CID 56789957) is (2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate is COCc1cccc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate?
The InChIKey is FWDSKISZKCACKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-11-13-5-4-7-15(9-13)19(22)24-12-16-10-14-6-2-3-8-17(14)20-18(16)21/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate?
(2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate has a molecular weight of 323.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate is sourced from PubChem (CID 56789957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).