N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide

C26H20F4N2O2 — CID 22262219

IUPACN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide
SMILESO=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2cccnc12
InChIInChI=1S/C26H20F4N2O2/c27-20-12-8-18(9-13-20)24(33)22(15-16-6-10-19(11-7-16)26(28,29)30)32-25(34)21-5-1-3-17-4-2-14-31-23(17)21/h1-14,22,24,33H,15H2,(H,32,34)
InChIKeyJUZDOCKYLYPHMV-UHFFFAOYSA-N
MW468.45 g/mol
LogP5.47
Rot. Bonds6

About N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide

N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide (PubChem CID 22262219) has the molecular formula C26H20F4N2O2 and a molecular weight of 468.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide
PubChem CID22262219
Molecular FormulaC26H20F4N2O2
Molecular Weight468.45 g/mol
Exact Mass468.15
IUPAC NameN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide
SMILESO=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2cccnc12
InChIInChI=1S/C26H20F4N2O2/c27-20-12-8-18(9-13-20)24(33)22(15-16-6-10-19(11-7-16)26(28,29)30)32-25(34)21-5-1-3-17-4-2-14-31-23(17)21/h1-14,22,24,33H,15H2,(H,32,34)
InChIKeyJUZDOCKYLYPHMV-UHFFFAOYSA-N
XLogP5.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.45
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide (CID 22262219) is N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide is O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide?
The InChIKey is JUZDOCKYLYPHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N2O2/c27-20-12-8-18(9-13-20)24(33)22(15-16-6-10-19(11-7-16)26(28,29)30)32-25(34)21-5-1-3-17-4-2-14-31-23(17)21/h1-14,22,24,33H,15H2,(H,32,34).
What are the key properties of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide?
N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide has a molecular weight of 468.45 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-8-carboxamide is sourced from PubChem (CID 22262219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).