2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide

C21H23F3N2O — CID 141060654

IUPAC2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide
SMILESCc1ccc(C2(C)CC(C)(C)N(NC(=O)C(F)(F)F)c3ccccc32)cc1
InChIInChI=1S/C21H23F3N2O/c1-14-9-11-15(12-10-14)20(4)13-19(2,3)26(25-18(27)21(22,23)24)17-8-6-5-7-16(17)20/h5-12H,13H2,1-4H3,(H,25,27)
InChIKeyDPWKOGDIMSLJOZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.88
Rot. Bonds2

About 2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide

2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide (PubChem CID 141060654) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide
PubChem CID141060654
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide
SMILESCc1ccc(C2(C)CC(C)(C)N(NC(=O)C(F)(F)F)c3ccccc32)cc1
InChIInChI=1S/C21H23F3N2O/c1-14-9-11-15(12-10-14)20(4)13-19(2,3)26(25-18(27)21(22,23)24)17-8-6-5-7-16(17)20/h5-12H,13H2,1-4H3,(H,25,27)
InChIKeyDPWKOGDIMSLJOZ-UHFFFAOYSA-N
XLogP4.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide (CID 141060654) is 2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide is Cc1ccc(C2(C)CC(C)(C)N(NC(=O)C(F)(F)F)c3ccccc32)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide?
The InChIKey is DPWKOGDIMSLJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c1-14-9-11-15(12-10-14)20(4)13-19(2,3)26(25-18(27)21(22,23)24)17-8-6-5-7-16(17)20/h5-12H,13H2,1-4H3,(H,25,27).
What are the key properties of 2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide?
2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2,2,4-trimethyl-4-(4-methylphenyl)-3H-quinolin-1-yl]acetamide is sourced from PubChem (CID 141060654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).