1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C23H20N2O2S — CID 5051672

IUPAC1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1cccc(Cn2c(=O)cc(C(=O)NCc3cccs3)c3ccccc32)c1
InChIInChI=1S/C23H20N2O2S/c1-16-6-4-7-17(12-16)15-25-21-10-3-2-9-19(21)20(13-22(25)26)23(27)24-14-18-8-5-11-28-18/h2-13H,14-15H2,1H3,(H,24,27)
InChIKeyHHEFCCJFRZWGPZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.35
Rot. Bonds5

About 1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 5051672) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID5051672
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1cccc(Cn2c(=O)cc(C(=O)NCc3cccs3)c3ccccc32)c1
InChIInChI=1S/C23H20N2O2S/c1-16-6-4-7-17(12-16)15-25-21-10-3-2-9-19(21)20(13-22(25)26)23(27)24-14-18-8-5-11-28-18/h2-13H,14-15H2,1H3,(H,24,27)
InChIKeyHHEFCCJFRZWGPZ-UHFFFAOYSA-N
XLogP4.35
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 5051672) is 1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is Cc1cccc(Cn2c(=O)cc(C(=O)NCc3cccs3)c3ccccc32)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is HHEFCCJFRZWGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-16-6-4-7-17(12-16)15-25-21-10-3-2-9-19(21)20(13-22(25)26)23(27)24-14-18-8-5-11-28-18/h2-13H,14-15H2,1H3,(H,24,27).
What are the key properties of 1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 5051672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).