5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide

C17H16N2OS — CID 25337367

IUPAC5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cnc3ccccc3c2)cc1C
InChIInChI=1S/C17H16N2OS/c1-3-15-11(2)8-16(21-15)17(20)19-13-9-12-6-4-5-7-14(12)18-10-13/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyMXQKRRWGTSODFL-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.42
Rot. Bonds3

About 5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide

5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide (PubChem CID 25337367) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide
PubChem CID25337367
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cnc3ccccc3c2)cc1C
InChIInChI=1S/C17H16N2OS/c1-3-15-11(2)8-16(21-15)17(20)19-13-9-12-6-4-5-7-14(12)18-10-13/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyMXQKRRWGTSODFL-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide (CID 25337367) is 5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2cnc3ccccc3c2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide?
The InChIKey is MXQKRRWGTSODFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-3-15-11(2)8-16(21-15)17(20)19-13-9-12-6-4-5-7-14(12)18-10-13/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide?
5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-quinolin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 25337367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).