ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate

C22H22N2O4 — CID 55994724

IUPACethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(COC(=O)Cc2ccc(C)nc2)nc2ccccc2c1C
InChIInChI=1S/C22H22N2O4/c1-4-27-22(26)21-15(3)17-7-5-6-8-18(17)24-19(21)13-28-20(25)11-16-10-9-14(2)23-12-16/h5-10,12H,4,11,13H2,1-3H3
InChIKeyLOLDGUVKFYMGIE-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.71
Rot. Bonds6

About ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate

ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate (PubChem CID 55994724) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate
PubChem CID55994724
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Nameethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(COC(=O)Cc2ccc(C)nc2)nc2ccccc2c1C
InChIInChI=1S/C22H22N2O4/c1-4-27-22(26)21-15(3)17-7-5-6-8-18(17)24-19(21)13-28-20(25)11-16-10-9-14(2)23-12-16/h5-10,12H,4,11,13H2,1-3H3
InChIKeyLOLDGUVKFYMGIE-UHFFFAOYSA-N
XLogP3.71
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8611562
ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 4803634
ethyl 2-[[2-(2-fluorophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8661348
ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8667374
(3-ethoxycarbonyl-4-methylquinolin-2-yl)methyl 3-methyl-1,2-oxazole-5-carboxylate
CID 38080268
ethyl 4-methyl-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]oxymethyl]quinoline-3-carboxylate
CID 8020793
methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 18225715
ethyl 2-[(4-formylbenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 4853451
ethyl 4-methyl-2-[(4-methylsulfonylphenoxy)methyl]quinoline-3-carboxylate
CID 55590399
(4-methylphenyl)methyl 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501789
benzyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144423
ethyl 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8736514

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate (CID 55994724) is ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate is CCOC(=O)c1c(COC(=O)Cc2ccc(C)nc2)nc2ccccc2c1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate?
The InChIKey is LOLDGUVKFYMGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-4-27-22(26)21-15(3)17-7-5-6-8-18(17)24-19(21)13-28-20(25)11-16-10-9-14(2)23-12-16/h5-10,12H,4,11,13H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate?
ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate is sourced from PubChem (CID 55994724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).