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

C26H20F4N2O2 — CID 22262106

IUPACN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-carboxamide
SMILESO=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1ccnc2ccccc12
InChIInChI=1S/C26H20F4N2O2/c27-19-11-7-17(8-12-19)24(33)23(15-16-5-9-18(10-6-16)26(28,29)30)32-25(34)21-13-14-31-22-4-2-1-3-20(21)22/h1-14,23-24,33H,15H2,(H,32,34)
InChIKeyWUAZBFBTEBWKSC-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-4-carboxamide

N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-carboxamide (PubChem CID 22262106) 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-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-carboxamide
PubChem CID22262106
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-4-carboxamide
SMILESO=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1ccnc2ccccc12
InChIInChI=1S/C26H20F4N2O2/c27-19-11-7-17(8-12-19)24(33)23(15-16-5-9-18(10-6-16)26(28,29)30)32-25(34)21-13-14-31-22-4-2-1-3-20(21)22/h1-14,23-24,33H,15H2,(H,32,34)
InChIKeyWUAZBFBTEBWKSC-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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Related Compounds

CID 23648469
CID 23648469
CID 23648485
CID 23648485
CID 23648487
CID 23648487
CID 10458783
CID 10458783
CID 9850843
CID 9850843
CID 10155886
CID 10155886
CID 10714925
CID 10714925
CID 156646561
CID 156646561
CID 129248600
CID 129248600
CID 129248607
CID 129248607
CID 129248690
CID 129248690
CID 129248692
CID 129248692

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-carboxamide (CID 22262106) is N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-carboxamide is O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1)c1ccnc2ccccc12.
What is the InChIKey of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-carboxamide?
The InChIKey is WUAZBFBTEBWKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N2O2/c27-19-11-7-17(8-12-19)24(33)23(15-16-5-9-18(10-6-16)26(28,29)30)32-25(34)21-13-14-31-22-4-2-1-3-20(21)22/h1-14,23-24,33H,15H2,(H,32,34).
What are the key properties of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-carboxamide?
N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]quinoline-4-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-4-carboxamide is sourced from PubChem (CID 22262106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).