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

C22H18N2O2S — CID 2030485

IUPAC4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2c(-c3cccs3)c(=O)c3ccccc3n2C)cc1
InChIInChI=1S/C22H18N2O2S/c1-14-9-11-15(12-10-14)22(26)23-21-19(18-8-5-13-27-18)20(25)16-6-3-4-7-17(16)24(21)2/h3-13H,1-2H3,(H,23,26)
InChIKeyQOTMERGLPMQEHJ-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.83
Rot. Bonds3

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

4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide (PubChem CID 2030485) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide
PubChem CID2030485
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2c(-c3cccs3)c(=O)c3ccccc3n2C)cc1
InChIInChI=1S/C22H18N2O2S/c1-14-9-11-15(12-10-14)22(26)23-21-19(18-8-5-13-27-18)20(25)16-6-3-4-7-17(16)24(21)2/h3-13H,1-2H3,(H,23,26)
InChIKeyQOTMERGLPMQEHJ-UHFFFAOYSA-N
XLogP4.83
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide (CID 2030485) is 4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide is Cc1ccc(C(=O)Nc2c(-c3cccs3)c(=O)c3ccccc3n2C)cc1.
What is the InChIKey of 4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide?
The InChIKey is QOTMERGLPMQEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-14-9-11-15(12-10-14)22(26)23-21-19(18-8-5-13-27-18)20(25)16-6-3-4-7-17(16)24(21)2/h3-13H,1-2H3,(H,23,26).
What are the key properties of 4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide?
4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide has a molecular weight of 374.47 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)benzamide is sourced from PubChem (CID 2030485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).