6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C23H20N2OS — CID 19647714

IUPAC6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C23H20N2OS/c1-14-11-16(3)22-17(12-14)18(13-20(24-22)21-9-6-10-27-21)23(26)25-19-8-5-4-7-15(19)2/h4-13H,1-3H3,(H,25,26)
InChIKeyDXGXHHDKXUKFQF-UHFFFAOYSA-N
MW372.49 g/mol
LogP6.14
Rot. Bonds3

About 6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 19647714) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID19647714
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3C)c2c1
InChIInChI=1S/C23H20N2OS/c1-14-11-16(3)22-17(12-14)18(13-20(24-22)21-9-6-10-27-21)23(26)25-19-8-5-4-7-15(19)2/h4-13H,1-3H3,(H,25,26)
InChIKeyDXGXHHDKXUKFQF-UHFFFAOYSA-N
XLogP6.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 17260002
N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647708
N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647736
N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647725
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 67203917
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
(2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate
CID 19648279
7-chloro-N-(2,5-dimethylphenyl)-8-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 3827571
pentyl 4-[(6,8-dimethyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 19647693
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of 6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 19647714) is 6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccccc3C)c2c1.
What is the InChIKey of 6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is DXGXHHDKXUKFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-14-11-16(3)22-17(12-14)18(13-20(24-22)21-9-6-10-27-21)23(26)25-19-8-5-4-7-15(19)2/h4-13H,1-3H3,(H,25,26).
What are the key properties of 6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 19647714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).