propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate

C23H24N2O4 — CID 39768110

IUPACpropyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)cc1
InChIInChI=1S/C23H24N2O4/c1-4-12-29-23(28)17-8-10-18(11-9-17)24-20(26)14-25-21(27)13-16(3)19-7-5-6-15(2)22(19)25/h5-11,13H,4,12,14H2,1-3H3,(H,24,26)
InChIKeyIQZNNIWDQPFROE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.82
Rot. Bonds6

About propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate

propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate (PubChem CID 39768110) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
PubChem CID39768110
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namepropyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)cc1
InChIInChI=1S/C23H24N2O4/c1-4-12-29-23(28)17-8-10-18(11-9-17)24-20(26)14-25-21(27)13-16(3)19-7-5-6-15(2)22(19)25/h5-11,13H,4,12,14H2,1-3H3,(H,24,26)
InChIKeyIQZNNIWDQPFROE-UHFFFAOYSA-N
XLogP3.82
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetate
CID 39768222
N-[4-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]phenyl]acetamide
CID 39768166
ethyl 2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 39764325
ethyl 4-[(4,8-dimethyl-2-oxoquinolin-1-yl)methyl]benzoate
CID 39768207
propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748146
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-nitrophenyl)acetamide
CID 39768144
N-(4-chlorophenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
CID 46302523
propyl 4-[[2-(methylamino)acetyl]amino]benzoate
CID 54821114
ethyl 4-acetyl-2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-5-methylfuran-3-carboxylate
CID 39764707
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
N-phenyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768322
ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748899

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate (CID 39768110) is propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)cc1.
What is the InChIKey of propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate?
The InChIKey is IQZNNIWDQPFROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-4-12-29-23(28)17-8-10-18(11-9-17)24-20(26)14-25-21(27)13-16(3)19-7-5-6-15(2)22(19)25/h5-11,13H,4,12,14H2,1-3H3,(H,24,26).
What are the key properties of propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate?
propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate has a molecular weight of 392.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 39768110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).