N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide

C17H16N2O2S — CID 666544

IUPACN-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide
SMILESCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C
InChIInChI=1S/C17H16N2O2S/c1-3-14(20)18-17-15(13-9-6-10-22-13)16(21)11-7-4-5-8-12(11)19(17)2/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyLRTZQXXWFYSUTG-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.62
Rot. Bonds3

About N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide

N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide (PubChem CID 666544) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide
PubChem CID666544
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide
SMILESCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C
InChIInChI=1S/C17H16N2O2S/c1-3-14(20)18-17-15(13-9-6-10-22-13)16(21)11-7-4-5-8-12(11)19(17)2/h4-10H,3H2,1-2H3,(H,18,20)
InChIKeyLRTZQXXWFYSUTG-UHFFFAOYSA-N
XLogP3.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide?
The IUPAC name of N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide (CID 666544) is N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide.
What is the SMILES notation for N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide?
The canonical SMILES for N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide is CCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C.
What is the InChIKey of N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide?
The InChIKey is LRTZQXXWFYSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-3-14(20)18-17-15(13-9-6-10-22-13)16(21)11-7-4-5-8-12(11)19(17)2/h4-10H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide?
N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide has a molecular weight of 312.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)propanamide is sourced from PubChem (CID 666544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).