2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide

C19H20N2OS — CID 55974194

IUPAC2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NC(C)Cc3ccsc3)c2c1
InChIInChI=1S/C19H20N2OS/c1-12-4-5-18-16(8-12)17(10-14(3)20-18)19(22)21-13(2)9-15-6-7-23-11-15/h4-8,10-11,13H,9H2,1-3H3,(H,21,22)
InChIKeyJPNYXMUNSIEINT-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.27
Rot. Bonds4

About 2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide

2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide (PubChem CID 55974194) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide
PubChem CID55974194
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NC(C)Cc3ccsc3)c2c1
InChIInChI=1S/C19H20N2OS/c1-12-4-5-18-16(8-12)17(10-14(3)20-18)19(22)21-13(2)9-15-6-7-23-11-15/h4-8,10-11,13H,9H2,1-3H3,(H,21,22)
InChIKeyJPNYXMUNSIEINT-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 94194343
6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749878
5-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62516052
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
N-[(1R,2S)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071689

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide (CID 55974194) is 2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NC(C)Cc3ccsc3)c2c1.
What is the InChIKey of 2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide?
The InChIKey is JPNYXMUNSIEINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-12-4-5-18-16(8-12)17(10-14(3)20-18)19(22)21-13(2)9-15-6-7-23-11-15/h4-8,10-11,13H,9H2,1-3H3,(H,21,22).
What are the key properties of 2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide?
2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 55974194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).