3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide

C20H20N2O2S — CID 169415281

IUPAC3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc2c(C)cc(-c3csc(C(C)=O)c3)nc2c1
InChIInChI=1S/C20H20N2O2S/c1-12-8-17(15-10-19(13(2)23)25-11-15)22-18-9-14(4-6-16(12)18)5-7-20(24)21-3/h4,6,8-11H,5,7H2,1-3H3,(H,21,24)
InChIKeyCYCHGLXZPKWYTL-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.15
Rot. Bonds5

About 3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide

3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide (PubChem CID 169415281) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide
PubChem CID169415281
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc2c(C)cc(-c3csc(C(C)=O)c3)nc2c1
InChIInChI=1S/C20H20N2O2S/c1-12-8-17(15-10-19(13(2)23)25-11-15)22-18-9-14(4-6-16(12)18)5-7-20(24)21-3/h4,6,8-11H,5,7H2,1-3H3,(H,21,24)
InChIKeyCYCHGLXZPKWYTL-UHFFFAOYSA-N
XLogP4.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide?
The IUPAC name of 3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide (CID 169415281) is 3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide?
The canonical SMILES for 3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide is CNC(=O)CCc1ccc2c(C)cc(-c3csc(C(C)=O)c3)nc2c1.
What is the InChIKey of 3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide?
The InChIKey is CYCHGLXZPKWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-12-8-17(15-10-19(13(2)23)25-11-15)22-18-9-14(4-6-16(12)18)5-7-20(24)21-3/h4,6,8-11H,5,7H2,1-3H3,(H,21,24).
What are the key properties of 3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide?
3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide has a molecular weight of 352.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-acetylthiophen-3-yl)-4-methylquinolin-7-yl]-N-methylpropanamide is sourced from PubChem (CID 169415281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).