N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide

C21H24N2OS — CID 42749781

IUPACN-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(-c2cccs2)nc2ccc(C)cc12
InChIInChI=1S/C21H24N2OS/c1-3-4-5-6-11-22-21(24)17-14-19(20-8-7-12-25-20)23-18-10-9-15(2)13-16(17)18/h7-10,12-14H,3-6,11H2,1-2H3,(H,22,24)
InChIKeyJANNPIQFSQWKKV-UHFFFAOYSA-N
MW352.50 g/mol
LogP5.58
Rot. Bonds7

About N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide

N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 42749781) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID42749781
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC NameN-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(-c2cccs2)nc2ccc(C)cc12
InChIInChI=1S/C21H24N2OS/c1-3-4-5-6-11-22-21(24)17-14-19(20-8-7-12-25-20)23-18-10-9-15(2)13-16(17)18/h7-10,12-14H,3-6,11H2,1-2H3,(H,22,24)
InChIKeyJANNPIQFSQWKKV-UHFFFAOYSA-N
XLogP5.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
CID 3625064
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
N-[(4-butylphenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 46100340
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
6-(butylsulfamoyl)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 98366221
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216

Frequently Asked Questions

What is the IUPAC name of N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 42749781) is N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide is CCCCCCNC(=O)c1cc(-c2cccs2)nc2ccc(C)cc12.
What is the InChIKey of N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is JANNPIQFSQWKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-3-4-5-6-11-22-21(24)17-14-19(20-8-7-12-25-20)23-18-10-9-15(2)13-16(17)18/h7-10,12-14H,3-6,11H2,1-2H3,(H,22,24).
What are the key properties of N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 42749781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).