N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide

C24H19F3N4OS — CID 6624883

IUPACN-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)CSc3ccncc3)cc12
InChIInChI=1S/C24H19F3N4OS/c1-15-11-22(29-17-4-2-3-16(12-17)24(25,26)27)31-21-6-5-18(13-20(15)21)30-23(32)14-33-19-7-9-28-10-8-19/h2-13H,14H2,1H3,(H,29,31)(H,30,32)
InChIKeyBYASSFASQHARES-UHFFFAOYSA-N
MW468.50 g/mol
LogP6.43
Rot. Bonds6

About N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide

N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 6624883) has the molecular formula C24H19F3N4OS and a molecular weight of 468.50 g/mol. Its IUPAC name is N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID6624883
Molecular FormulaC24H19F3N4OS
Molecular Weight468.50 g/mol
Exact Mass468.12
IUPAC NameN-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide
SMILESCc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)CSc3ccncc3)cc12
InChIInChI=1S/C24H19F3N4OS/c1-15-11-22(29-17-4-2-3-16(12-17)24(25,26)27)31-21-6-5-18(13-20(15)21)30-23(32)14-33-19-7-9-28-10-8-19/h2-13H,14H2,1H3,(H,29,31)(H,30,32)
InChIKeyBYASSFASQHARES-UHFFFAOYSA-N
XLogP6.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide (CID 6624883) is N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide is Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)CSc3ccncc3)cc12.
What is the InChIKey of N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is BYASSFASQHARES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4OS/c1-15-11-22(29-17-4-2-3-16(12-17)24(25,26)27)31-21-6-5-18(13-20(15)21)30-23(32)14-33-19-7-9-28-10-8-19/h2-13H,14H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide?
N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 468.50 g/mol, XLogP of 6.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 6624883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).