N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide

C20H14F3N3O2 — CID 55710766

IUPACN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide
SMILESN#Cc1cc(NC(=O)Cc2cccc3cccnc23)ccc1OCC(F)(F)F
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)12-28-17-7-6-16(9-15(17)11-24)26-18(27)10-14-4-1-3-13-5-2-8-25-19(13)14/h1-9H,10,12H2,(H,26,27)
InChIKeyKEMCLCAWTNNNJB-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.23
Rot. Bonds5

About N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide (PubChem CID 55710766) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide
PubChem CID55710766
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC NameN-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide
SMILESN#Cc1cc(NC(=O)Cc2cccc3cccnc23)ccc1OCC(F)(F)F
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)12-28-17-7-6-16(9-15(17)11-24)26-18(27)10-14-4-1-3-13-5-2-8-25-19(13)14/h1-9H,10,12H2,(H,26,27)
InChIKeyKEMCLCAWTNNNJB-UHFFFAOYSA-N
XLogP4.23
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 55710758
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]quinoline-2-carboxamide
CID 55711742
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55710835
N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
N-[3-[3-cyano-4-(2,2,2-trifluoroethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
CID 55710958
N-[1-[3-cyano-4-(2,2,2-trifluoroethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55710601
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015275
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55710724
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide
CID 55710580
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-4-fluoro-2-iodobenzamide
CID 55743956
1-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-[(2R)-2-hydroxy-2-methylbutyl]urea
CID 95168025
8-(2,2,2-trifluoroethoxy)quinoline
CID 70258854

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide (CID 55710766) is N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide is N#Cc1cc(NC(=O)Cc2cccc3cccnc23)ccc1OCC(F)(F)F.
What is the InChIKey of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide?
The InChIKey is KEMCLCAWTNNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-20(22,23)12-28-17-7-6-16(9-15(17)11-24)26-18(27)10-14-4-1-3-13-5-2-8-25-19(13)14/h1-9H,10,12H2,(H,26,27).
What are the key properties of N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide?
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide has a molecular weight of 385.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 55710766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).