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

C16H14ClN3O3S — CID 68785057

IUPAC4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C16H14ClN3O3S/c17-10-8-24-16(14(10)15(18)23)19-12(21)7-20-11-4-2-1-3-9(11)5-6-13(20)22/h1-4,8H,5-7H2,(H2,18,23)(H,19,21)
InChIKeyXODLELGPHAESPK-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.42
Rot. Bonds4

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

4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 68785057) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID68785057
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ccccc21
InChIInChI=1S/C16H14ClN3O3S/c17-10-8-24-16(14(10)15(18)23)19-12(21)7-20-11-4-2-1-3-9(11)5-6-13(20)22/h1-4,8H,5-7H2,(H2,18,23)(H,19,21)
InChIKeyXODLELGPHAESPK-UHFFFAOYSA-N
XLogP2.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[4-bromo-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 46869882
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]acetamide
CID 46869743
N-(2,4-difluorophenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126458852
2-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]propanoic acid
CID 119187860
N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide
CID 141154790
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933649
N-(3-methylsulfanylphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548644
N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-piperidin-4-ylacetamide
CID 125134274
5-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119235203
N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276054

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide (CID 68785057) is 4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1c(Cl)csc1NC(=O)CN1C(=O)CCc2ccccc21.
What is the InChIKey of 4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is XODLELGPHAESPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-10-8-24-16(14(10)15(18)23)19-12(21)7-20-11-4-2-1-3-9(11)5-6-13(20)22/h1-4,8H,5-7H2,(H2,18,23)(H,19,21).
What are the key properties of 4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide?
4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 363.83 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 68785057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).