ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate

C20H21FN2O4S — CID 78843514

IUPACethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC(=O)Nc3cc(F)ccc32)sc(C)c1CC
InChIInChI=1S/C20H21FN2O4S/c1-4-12-10(3)28-19(17(12)20(26)27-5-2)23-18(25)14-9-16(24)22-15-8-11(21)6-7-13(14)15/h6-8,14H,4-5,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKHJKITXEBVLMHI-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.00
Rot. Bonds5

About ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate

ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate (PubChem CID 78843514) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
PubChem CID78843514
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Nameethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC(=O)Nc3cc(F)ccc32)sc(C)c1CC
InChIInChI=1S/C20H21FN2O4S/c1-4-12-10(3)28-19(17(12)20(26)27-5-2)23-18(25)14-9-16(24)22-15-8-11(21)6-7-13(14)15/h6-8,14H,4-5,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKHJKITXEBVLMHI-UHFFFAOYSA-N
XLogP4.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4S)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94007045
methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
CID 46535404
N-(2-ethoxy-4-hydroxyphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 154862858
(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 34952145
N-(4,5-dimethoxy-2-methylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46698498
(4S)-7-fluoro-N-(4-methyl-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41492301
(4R)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110571
(4S)-7-fluoro-2-oxo-N-(4-pentylphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26110572
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119522411
7-fluoro-N-(2-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517479
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
7-fluoro-N-[4-(2-hydroxyethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110922966

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate (CID 78843514) is ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C2CC(=O)Nc3cc(F)ccc32)sc(C)c1CC.
What is the InChIKey of ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
The InChIKey is KHJKITXEBVLMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-4-12-10(3)28-19(17(12)20(26)27-5-2)23-18(25)14-9-16(24)22-15-8-11(21)6-7-13(14)15/h6-8,14H,4-5,9H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate?
ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate has a molecular weight of 404.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 78843514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).