N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide

C22H18F3N3O3 — CID 167468267

IUPACN-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(CCOc3cnc4c(OC(F)(F)F)cccc4c3)cc12
InChIInChI=1S/C22H18F3N3O3/c1-13(29)28-19-12-26-18-6-5-14(9-17(18)19)7-8-30-16-10-15-3-2-4-20(21(15)27-11-16)31-22(23,24)25/h2-6,9-12,26H,7-8H2,1H3,(H,28,29)
InChIKeyUPMXGRQDDSNQII-UHFFFAOYSA-N
MW429.40 g/mol
LogP5.19
Rot. Bonds6

About N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide

N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide (PubChem CID 167468267) has the molecular formula C22H18F3N3O3 and a molecular weight of 429.40 g/mol. Its IUPAC name is N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide
PubChem CID167468267
Molecular FormulaC22H18F3N3O3
Molecular Weight429.40 g/mol
Exact Mass429.13
IUPAC NameN-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(CCOc3cnc4c(OC(F)(F)F)cccc4c3)cc12
InChIInChI=1S/C22H18F3N3O3/c1-13(29)28-19-12-26-18-6-5-14(9-17(18)19)7-8-30-16-10-15-3-2-4-20(21(15)27-11-16)31-22(23,24)25/h2-6,9-12,26H,7-8H2,1H3,(H,28,29)
InChIKeyUPMXGRQDDSNQII-UHFFFAOYSA-N
XLogP5.19
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.40
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 167467575
trans-(1S,2S)-2-methyl-N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467793
N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide
CID 167467711
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240
3,8-bis(2-phenylethoxy)quinoline
CID 100915268
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-5-carboxamide
CID 168986715
3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
N-(3,3-difluorobutylsulfanyl)-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-amine
CID 168986982
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide
CID 168986829
5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine
CID 167467779
2-[(1R,2R)-2-cyanocyclopropyl]-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]acetamide
CID 167467986
N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide
CID 167467458

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide?
The IUPAC name of N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide (CID 167468267) is N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide is CC(=O)Nc1c[nH]c2ccc(CCOc3cnc4c(OC(F)(F)F)cccc4c3)cc12.
What is the InChIKey of N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide?
The InChIKey is UPMXGRQDDSNQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3/c1-13(29)28-19-12-26-18-6-5-14(9-17(18)19)7-8-30-16-10-15-3-2-4-20(21(15)27-11-16)31-22(23,24)25/h2-6,9-12,26H,7-8H2,1H3,(H,28,29).
What are the key properties of N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide?
N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide has a molecular weight of 429.40 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide is sourced from PubChem (CID 167468267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).