N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide

C20H22N2OS — CID 1261855

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)C(C)(C)C
InChIInChI=1S/C20H22N2OS/c1-13(20(2,3)4)21-19(23)15-12-17(18-10-7-11-24-18)22-16-9-6-5-8-14(15)16/h5-13H,1-4H3,(H,21,23)/t13-/m1/s1
InChIKeyFFHFSVGARUCBTM-CYBMUJFWSA-N
MW338.48 g/mol
LogP5.13
Rot. Bonds3

About N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 1261855) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID1261855
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)C(C)(C)C
InChIInChI=1S/C20H22N2OS/c1-13(20(2,3)4)21-19(23)15-12-17(18-10-7-11-24-18)22-16-9-6-5-8-14(15)16/h5-13H,1-4H3,(H,21,23)/t13-/m1/s1
InChIKeyFFHFSVGARUCBTM-CYBMUJFWSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 8733849
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 129376502
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-[(4-tert-butylphenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2348445
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate
CID 42915242

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 1261855) is N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is C[C@@H](NC(=O)c1cc(-c2cccs2)nc2ccccc12)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is FFHFSVGARUCBTM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-13(20(2,3)4)21-19(23)15-12-17(18-10-7-11-24-18)22-16-9-6-5-8-14(15)16/h5-13H,1-4H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).