methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate

C22H21NO5 — CID 18225715

IUPACmethyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)Cc2ccccc2OC)nc2ccccc2c1C
InChIInChI=1S/C22H21NO5/c1-14-16-9-5-6-10-17(16)23-18(21(14)22(25)27-3)13-28-20(24)12-15-8-4-7-11-19(15)26-2/h4-11H,12-13H2,1-3H3
InChIKeyITEJKAVHUUQVDB-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.62
Rot. Bonds6

About methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate

methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate (PubChem CID 18225715) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
PubChem CID18225715
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Namemethyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)Cc2ccccc2OC)nc2ccccc2c1C
InChIInChI=1S/C22H21NO5/c1-14-16-9-5-6-10-17(16)23-18(21(14)22(25)27-3)13-28-20(24)12-15-8-4-7-11-19(15)26-2/h4-11H,12-13H2,1-3H3
InChIKeyITEJKAVHUUQVDB-UHFFFAOYSA-N
XLogP3.62
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate (CID 18225715) is methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate is COC(=O)c1c(COC(=O)Cc2ccccc2OC)nc2ccccc2c1C.
What is the InChIKey of methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate?
The InChIKey is ITEJKAVHUUQVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-14-16-9-5-6-10-17(16)23-18(21(14)22(25)27-3)13-28-20(24)12-15-8-4-7-11-19(15)26-2/h4-11H,12-13H2,1-3H3.
What are the key properties of methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate?
methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 18225715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).