methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate

C18H18N2O4S — CID 53322984

IUPACmethyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C18H18N2O4S/c1-11-10-25-17(16(11)18(23)24-2)19-14(21)9-20-13-6-4-3-5-12(13)7-8-15(20)22/h3-6,10H,7-9H2,1-2H3,(H,19,21)
InChIKeyVYQHPOVDIRILEA-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.76
Rot. Bonds4

About methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate

methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 53322984) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID53322984
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Namemethyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C18H18N2O4S/c1-11-10-25-17(16(11)18(23)24-2)19-14(21)9-20-13-6-4-3-5-12(13)7-8-15(20)22/h3-6,10H,7-9H2,1-2H3,(H,19,21)
InChIKeyVYQHPOVDIRILEA-UHFFFAOYSA-N
XLogP2.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 53322984) is methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc21.
What is the InChIKey of methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is VYQHPOVDIRILEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-10-25-17(16(11)18(23)24-2)19-14(21)9-20-13-6-4-3-5-12(13)7-8-15(20)22/h3-6,10H,7-9H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 53322984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).