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

C22H17FN2OS — CID 19647708

IUPACN-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C22H17FN2OS/c1-13-10-14(2)21-17(11-13)18(12-19(25-21)20-4-3-9-27-20)22(26)24-16-7-5-15(23)6-8-16/h3-12H,1-2H3,(H,24,26)
InChIKeyXNXNGOCYBZAQML-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.97
Rot. Bonds3

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

N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 19647708) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID19647708
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC NameN-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(F)cc3)c2c1
InChIInChI=1S/C22H17FN2OS/c1-13-10-14(2)21-17(11-13)18(12-19(25-21)20-4-3-9-27-20)22(26)24-16-7-5-15(23)6-8-16/h3-12H,1-2H3,(H,24,26)
InChIKeyXNXNGOCYBZAQML-UHFFFAOYSA-N
XLogP5.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647725
6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647714
6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 17260002
pentyl 4-[(6,8-dimethyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 19647693
N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647736
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 67203917
(2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate
CID 19648279
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647594
methyl 4-[(6,8-dimethyl-2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 177319819

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 19647708) is N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(F)cc3)c2c1.
What is the InChIKey of N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is XNXNGOCYBZAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c1-13-10-14(2)21-17(11-13)18(12-19(25-21)20-4-3-9-27-20)22(26)24-16-7-5-15(23)6-8-16/h3-12H,1-2H3,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 19647708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).