2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C22H21F3N4O2 — CID 33216964

IUPAC2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C22H21F3N4O2/c1-2-11-29(13-20(31)28-18-9-8-15(23)21(24)22(18)25)12-19(30)27-17-7-3-6-16-14(17)5-4-10-26-16/h3-10H,2,11-13H2,1H3,(H,27,30)(H,28,31)
InChIKeyFQTLRHRQZLZEPK-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.94
Rot. Bonds8

About 2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 33216964) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID33216964
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C22H21F3N4O2/c1-2-11-29(13-20(31)28-18-9-8-15(23)21(24)22(18)25)12-19(30)27-17-7-3-6-16-14(17)5-4-10-26-16/h3-10H,2,11-13H2,1H3,(H,27,30)(H,28,31)
InChIKeyFQTLRHRQZLZEPK-UHFFFAOYSA-N
XLogP3.94
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylquinolin-4-ylamino)-N-phenylacetamide
CID 44596230
Quinoline, 4-(2-diethylamino)ethylamino-
CID 10562205
5-Acetylaminoquinoline
CID 162518
[4-(4-Methylpiperazinyl)phenyl]-4-quinolylamine
CID 4567175
SB-410220
CID 10065953
3-Acetylaminoquinoline
CID 79448
N-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-2-pyrazine carboxamide
CID 49850567
N-methyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)acetamide
CID 49850768
N-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)acetamide
CID 49850872
N-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)propanamide
CID 49852001
2-Methyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)propanamide
CID 49852002
2,2-Dimethyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)propanamide
CID 49852003

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 33216964) is 2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is FQTLRHRQZLZEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-2-11-29(13-20(31)28-18-9-8-15(23)21(24)22(18)25)12-19(30)27-17-7-3-6-16-14(17)5-4-10-26-16/h3-10H,2,11-13H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 430.43 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(quinolin-5-ylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 33216964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).