ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate

C22H22N2O5 — CID 39768507

IUPACethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)c2cccc(OC)c21
InChIInChI=1S/C22H22N2O5/c1-4-29-22(27)16-8-5-6-10-17(16)23-19(25)13-24-20(26)12-14(2)15-9-7-11-18(28-3)21(15)24/h5-12H,4,13H2,1-3H3,(H,23,25)
InChIKeyVJXCVGQLWXIHEM-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.13
Rot. Bonds6

About ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate

ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate (PubChem CID 39768507) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
PubChem CID39768507
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Nameethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)c2cccc(OC)c21
InChIInChI=1S/C22H22N2O5/c1-4-29-22(27)16-8-5-6-10-17(16)23-19(25)13-24-20(26)12-14(2)15-9-7-11-18(28-3)21(15)24/h5-12H,4,13H2,1-3H3,(H,23,25)
InChIKeyVJXCVGQLWXIHEM-UHFFFAOYSA-N
XLogP3.13
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 39768572
N-(4-chlorophenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
CID 46302523
dimethyl 5-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 39768575
N-(2,3-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765349
N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39765147
ethyl 2-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748156
ethyl 2-(propanoylamino)benzoate
CID 4190428
N-(2,6-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765352
8-methoxy-4-methyl-1-(naphthalen-1-ylmethyl)quinolin-2-one
CID 39768466
N-(3,4-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765354
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 4055331
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate (CID 39768507) is ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(C)c2cccc(OC)c21.
What is the InChIKey of ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate?
The InChIKey is VJXCVGQLWXIHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-4-29-22(27)16-8-5-6-10-17(16)23-19(25)13-24-20(26)12-14(2)15-9-7-11-18(28-3)21(15)24/h5-12H,4,13H2,1-3H3,(H,23,25).
What are the key properties of ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate?
ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate has a molecular weight of 394.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 39768507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).