ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate

C24H26N2O4 — CID 46301226

IUPACethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C(CC)n2c(=O)cc(C)c3cccc(C)c32)c1
InChIInChI=1S/C24H26N2O4/c1-5-20(23(28)25-18-11-8-10-17(14-18)24(29)30-6-2)26-21(27)13-16(4)19-12-7-9-15(3)22(19)26/h7-14,20H,5-6H2,1-4H3,(H,25,28)
InChIKeyDXQUMIBQLOAJQJ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.38
Rot. Bonds6

About ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate

ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate (PubChem CID 46301226) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate
PubChem CID46301226
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Nameethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C(CC)n2c(=O)cc(C)c3cccc(C)c32)c1
InChIInChI=1S/C24H26N2O4/c1-5-20(23(28)25-18-11-8-10-17(14-18)24(29)30-6-2)26-21(27)13-16(4)19-12-7-9-15(3)22(19)26/h7-14,20H,5-6H2,1-4H3,(H,25,28)
InChIKeyDXQUMIBQLOAJQJ-UHFFFAOYSA-N
XLogP4.38
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide
CID 46301191
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 46301245
N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301224
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4,6-trimethylphenyl)butanamide
CID 46301197
N-(3,4-dimethylphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301501
2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
CID 46301025
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate
CID 46301544
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301204
ethyl 3-[[(2S)-2-chloropropanoyl]amino]benzoate
CID 92660255
ethyl 3-(2-phenylpropanoylamino)benzoate
CID 54084497
ethyl 3-acetamidobenzoate
CID 700589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate?
The IUPAC name of ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate (CID 46301226) is ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate.
What is the SMILES notation for ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate?
The canonical SMILES for ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)C(CC)n2c(=O)cc(C)c3cccc(C)c32)c1.
What is the InChIKey of ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate?
The InChIKey is DXQUMIBQLOAJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-5-20(23(28)25-18-11-8-10-17(14-18)24(29)30-6-2)26-21(27)13-16(4)19-12-7-9-15(3)22(19)26/h7-14,20H,5-6H2,1-4H3,(H,25,28).
What are the key properties of ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate?
ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate has a molecular weight of 406.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate is sourced from PubChem (CID 46301226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).