ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate

C19H18N2O4S — CID 55333332

IUPACethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(=O)[nH]c3ccccc23)sc(C)c1C
InChIInChI=1S/C19H18N2O4S/c1-4-25-19(24)16-10(2)11(3)26-18(16)21-17(23)13-9-15(22)20-14-8-6-5-7-12(13)14/h5-9H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWBOLNMALRHVLJS-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.64
Rot. Bonds4

About ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 55333332) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate
PubChem CID55333332
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Nameethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(=O)[nH]c3ccccc23)sc(C)c1C
InChIInChI=1S/C19H18N2O4S/c1-4-25-19(24)16-10(2)11(3)26-18(16)21-17(23)13-9-15(22)20-14-8-6-5-7-12(13)14/h5-9H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWBOLNMALRHVLJS-UHFFFAOYSA-N
XLogP3.64
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-fluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 759965
ethyl 4,5-dimethyl-2-[(2-methylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 7565512
ethyl 2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4150303
ethyl 4,5-dimethyl-2-[(6-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 3165783
ethyl 4,5-dimethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 737612
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
ethyl 4,5-dimethyl-2-(1H-pyrrole-2-carbonylamino)thiophene-3-carboxylate
CID 43406883
ethyl 2-(benzylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 10544569
ethyl 2-[(2,6-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 78771957
ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 37262146
ethyl 5-carbamoyl-2-[[2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-4-methylthiophene-3-carboxylate
CID 5142902

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate (CID 55333332) is ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cc(=O)[nH]c3ccccc23)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is WBOLNMALRHVLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-4-25-19(24)16-10(2)11(3)26-18(16)21-17(23)13-9-15(22)20-14-8-6-5-7-12(13)14/h5-9H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 55333332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).