N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide

C24H22N2O3S — CID 1261789

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1OC
InChIInChI=1S/C24H22N2O3S/c1-15(16-10-11-21(28-2)22(13-16)29-3)25-24(27)18-14-20(23-9-6-12-30-23)26-19-8-5-4-7-17(18)19/h4-15H,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeyVTZLFXDMRKITBP-OAHLLOKOSA-N
MW418.52 g/mol
LogP5.47
Rot. Bonds6

About N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 1261789) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID1261789
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1OC
InChIInChI=1S/C24H22N2O3S/c1-15(16-10-11-21(28-2)22(13-16)29-3)25-24(27)18-14-20(23-9-6-12-30-23)26-19-8-5-4-7-17(18)19/h4-15H,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeyVTZLFXDMRKITBP-OAHLLOKOSA-N
XLogP5.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
CID 16574185
6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42750181
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55595337
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 7028903
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 1261789) is N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1OC.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is VTZLFXDMRKITBP-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-15(16-10-11-21(28-2)22(13-16)29-3)25-24(27)18-14-20(23-9-6-12-30-23)26-19-8-5-4-7-17(18)19/h4-15H,1-3H3,(H,25,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).