ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate

C14H15NO4 — CID 66789845

IUPACethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c(=O)c1COC
InChIInChI=1S/C14H15NO4/c1-3-19-14(17)12-10(8-18-2)13(16)9-6-4-5-7-11(9)15-12/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyBFGGCDMGCTZFCC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.85
Rot. Bonds4

About ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate

ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 66789845) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate
PubChem CID66789845
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c(=O)c1COC
InChIInChI=1S/C14H15NO4/c1-3-19-14(17)12-10(8-18-2)13(16)9-6-4-5-7-11(9)15-12/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyBFGGCDMGCTZFCC-UHFFFAOYSA-N
XLogP1.85
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 7576620
ethyl 3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576602
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
ethyl 3-[(4-formylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576629
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
ethyl 3-(3-oxobutyl)-1H-indole-2-carboxylate
CID 11974884
3-(methoxymethyl)-1H-indole-2-carboxylic acid
CID 54375862
ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
CID 11747350
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl 3-[[(2S)-2-methylpiperidin-1-yl]methyl]-4-oxo-1H-quinoline-2-carboxylate
CID 7576585
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate (CID 66789845) is ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c(=O)c1COC.
What is the InChIKey of ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is BFGGCDMGCTZFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-19-14(17)12-10(8-18-2)13(16)9-6-4-5-7-11(9)15-12/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate?
ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 66789845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).