N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide

C21H18F6N2O3 — CID 71812140

IUPACN-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C21H18F6N2O3/c1-12(30)28-16-7-8-17-14(10-16)4-9-18(31)29(17)11-13-2-5-15(6-3-13)19(32,20(22,23)24)21(25,26)27/h2-3,5-8,10,32H,4,9,11H2,1H3,(H,28,30)
InChIKeyHXWWKRNBPHPUJI-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.44
Rot. Bonds4

About N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide

N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide (PubChem CID 71812140) has the molecular formula C21H18F6N2O3 and a molecular weight of 460.37 g/mol. Its IUPAC name is N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
PubChem CID71812140
Molecular FormulaC21H18F6N2O3
Molecular Weight460.37 g/mol
Exact Mass460.12
IUPAC NameN-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C21H18F6N2O3/c1-12(30)28-16-7-8-17-14(10-16)4-9-18(31)29(17)11-13-2-5-15(6-3-13)19(32,20(22,23)24)21(25,26)27/h2-3,5-8,10,32H,4,9,11H2,1H3,(H,28,30)
InChIKeyHXWWKRNBPHPUJI-UHFFFAOYSA-N
XLogP4.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
The IUPAC name of N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide (CID 71812140) is N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
The canonical SMILES for N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
The InChIKey is HXWWKRNBPHPUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F6N2O3/c1-12(30)28-16-7-8-17-14(10-16)4-9-18(31)29(17)11-13-2-5-15(6-3-13)19(32,20(22,23)24)21(25,26)27/h2-3,5-8,10,32H,4,9,11H2,1H3,(H,28,30).
What are the key properties of N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide?
N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide has a molecular weight of 460.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2-oxo-3,4-dihydroquinolin-6-yl]acetamide is sourced from PubChem (CID 71812140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).