methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate

C21H24N2O5 — CID 8603142

IUPACmethyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)CN2CCCCCC2=O)nc2ccccc2c1C
InChIInChI=1S/C21H24N2O5/c1-14-15-8-5-6-9-16(15)22-17(20(14)21(26)27-2)13-28-19(25)12-23-11-7-3-4-10-18(23)24/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyVSCZUEPOJUAHKW-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.78
Rot. Bonds5

About methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate

methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate (PubChem CID 8603142) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate
PubChem CID8603142
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate
SMILESCOC(=O)c1c(COC(=O)CN2CCCCCC2=O)nc2ccccc2c1C
InChIInChI=1S/C21H24N2O5/c1-14-15-8-5-6-9-16(15)22-17(20(14)21(26)27-2)13-28-19(25)12-23-11-7-3-4-10-18(23)24/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyVSCZUEPOJUAHKW-UHFFFAOYSA-N
XLogP2.78
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate with MolForge

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Related Compounds

methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8679831
(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
CID 27910056
methyl 2-[[2-(2-methoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 18225715
[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate
CID 7727733
(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 27717310
methyl 2-[(2-fluorobenzoyl)oxymethyl]-4-methylquinoline-3-carboxylate
CID 8603013
methyl 2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 9128687
ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8611562
methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate
CID 24604370
ethyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 4803634
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(2-oxoazepan-1-yl)acetate
CID 7727764
[(E)-3-phenylprop-2-enyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 46511818

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate?
The IUPAC name of methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate (CID 8603142) is methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate is COC(=O)c1c(COC(=O)CN2CCCCCC2=O)nc2ccccc2c1C.
What is the InChIKey of methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate?
The InChIKey is VSCZUEPOJUAHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14-15-8-5-6-9-16(15)22-17(20(14)21(26)27-2)13-28-19(25)12-23-11-7-3-4-10-18(23)24/h5-6,8-9H,3-4,7,10-13H2,1-2H3.
What are the key properties of methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate?
methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate has a molecular weight of 384.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate is sourced from PubChem (CID 8603142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).