ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate

C24H24N2O5 — CID 8611562

IUPACethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(COC(=O)Cc2ccc(NC(C)=O)cc2)nc2ccccc2c1C
InChIInChI=1S/C24H24N2O5/c1-4-30-24(29)23-15(2)19-7-5-6-8-20(19)26-21(23)14-31-22(28)13-17-9-11-18(12-10-17)25-16(3)27/h5-12H,4,13-14H2,1-3H3,(H,25,27)
InChIKeyTWMNECBFUFSGDA-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.96
Rot. Bonds7

About ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate

ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate (PubChem CID 8611562) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
PubChem CID8611562
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Nameethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(COC(=O)Cc2ccc(NC(C)=O)cc2)nc2ccccc2c1C
InChIInChI=1S/C24H24N2O5/c1-4-30-24(29)23-15(2)19-7-5-6-8-20(19)26-21(23)14-31-22(28)13-17-9-11-18(12-10-17)25-16(3)27/h5-12H,4,13-14H2,1-3H3,(H,25,27)
InChIKeyTWMNECBFUFSGDA-UHFFFAOYSA-N
XLogP3.96
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-[[2-(6-methyl-3-pyridinyl)acetyl]oxymethyl]quinoline-3-carboxylate
CID 55994724
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
N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 18225715
(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
ethyl 2-[(4-formylbenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 4853451
(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 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate (CID 8611562) is ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate is CCOC(=O)c1c(COC(=O)Cc2ccc(NC(C)=O)cc2)nc2ccccc2c1C.
What is the InChIKey of ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate?
The InChIKey is TWMNECBFUFSGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-4-30-24(29)23-15(2)19-7-5-6-8-20(19)26-21(23)14-31-22(28)13-17-9-11-18(12-10-17)25-16(3)27/h5-12H,4,13-14H2,1-3H3,(H,25,27).
What are the key properties of ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate?
ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 8611562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).