N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C22H21F3N4O4S — CID 166261329

IUPACN-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(CNC(=O)c1ccc(C2CCCN2)s1)Nc1cccc2cccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20N4O2S.C2HF3O2/c25-18(24-15-6-1-4-13-5-2-11-22-19(13)15)12-23-20(26)17-9-8-16(27-17)14-7-3-10-21-14;3-2(4,5)1(6)7/h1-2,4-6,8-9,11,14,21H,3,7,10,12H2,(H,23,26)(H,24,25);(H,6,7)
InChIKeyJJWFHGGSUUHWAV-UHFFFAOYSA-N
MW494.50 g/mol
LogP3.72
Rot. Bonds5

About N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid

N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166261329) has the molecular formula C22H21F3N4O4S and a molecular weight of 494.50 g/mol. Its IUPAC name is N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166261329
Molecular FormulaC22H21F3N4O4S
Molecular Weight494.50 g/mol
Exact Mass494.12
IUPAC NameN-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(CNC(=O)c1ccc(C2CCCN2)s1)Nc1cccc2cccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20N4O2S.C2HF3O2/c25-18(24-15-6-1-4-13-5-2-11-22-19(13)15)12-23-20(26)17-9-8-16(27-17)14-7-3-10-21-14;3-2(4,5)1(6)7/h1-2,4-6,8-9,11,14,21H,3,7,10,12H2,(H,23,26)(H,24,25);(H,6,7)
InChIKeyJJWFHGGSUUHWAV-UHFFFAOYSA-N
XLogP3.72
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 154924430
N-(2-fluoroethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45208476
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 113000714
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45185745
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45206060

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 166261329) is N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(CNC(=O)c1ccc(C2CCCN2)s1)Nc1cccc2cccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JJWFHGGSUUHWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S.C2HF3O2/c25-18(24-15-6-1-4-13-5-2-11-22-19(13)15)12-23-20(26)17-9-8-16(27-17)14-7-3-10-21-14;3-2(4,5)1(6)7/h1-2,4-6,8-9,11,14,21H,3,7,10,12H2,(H,23,26)(H,24,25);(H,6,7).
What are the key properties of N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 494.50 g/mol, XLogP of 3.72, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(quinolin-8-ylamino)ethyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166261329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).