ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate

C21H20N2O4 — CID 100741952

IUPACethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C21H20N2O4/c1-3-27-21(26)15-5-7-16(8-6-15)22-20(25)13-23-11-10-19(24)17-12-14(2)4-9-18(17)23/h4-12H,3,13H2,1-2H3,(H,22,25)
InChIKeyKSOSVCLKADCQRN-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.13
Rot. Bonds5

About ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate

ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate (PubChem CID 100741952) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate
PubChem CID100741952
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Nameethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C21H20N2O4/c1-3-27-21(26)15-5-7-16(8-6-15)22-20(25)13-23-11-10-19(24)17-12-14(2)4-9-18(17)23/h4-12H,3,13H2,1-2H3,(H,22,25)
InChIKeyKSOSVCLKADCQRN-UHFFFAOYSA-N
XLogP3.13
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741578
ethyl 4-[[2-(5-methoxyindol-1-yl)acetyl]amino]benzoate
CID 29127327
N-(3-bromophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741597
ethyl 2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetate
CID 100779669
2-(6-methyl-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100741082
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
N-(2,3-dimethylphenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741423
ethyl 4-[[2-(7-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39059882
diethyl 4-oxoquinoline-1,6-dicarboxylate
CID 132565800
ethyl 4-[[2-(2-formylpyrrol-1-yl)acetyl]amino]benzoate
CID 71683659
ethyl 4-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 1147047
2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide
CID 100779672

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate (CID 100741952) is ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1.
What is the InChIKey of ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
The InChIKey is KSOSVCLKADCQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-27-21(26)15-5-7-16(8-6-15)22-20(25)13-23-11-10-19(24)17-12-14(2)4-9-18(17)23/h4-12H,3,13H2,1-2H3,(H,22,25).
What are the key properties of ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate has a molecular weight of 364.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 100741952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).