4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide

C21H23F3N4O3 — CID 55970686

IUPAC4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide
SMILESO=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-1-9-26-20(16)27-11-10-25-18(29)4-2-12-31-15-6-7-17-14(13-15)5-8-19(30)28-17/h1,3,6-7,9,13H,2,4-5,8,10-12H2,(H,25,29)(H,26,27)(H,28,30)
InChIKeyHSJXHSABYZQZII-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.37
Rot. Bonds9

About 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide

4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide (PubChem CID 55970686) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide.

Molecular Properties

Compound Name4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide
PubChem CID55970686
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide
SMILESO=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-1-9-26-20(16)27-11-10-25-18(29)4-2-12-31-15-6-7-17-14(13-15)5-8-19(30)28-17/h1,3,6-7,9,13H,2,4-5,8,10-12H2,(H,25,29)(H,26,27)(H,28,30)
InChIKeyHSJXHSABYZQZII-UHFFFAOYSA-N
XLogP3.37
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
N-methyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carboxamide
CID 133318185
N-(3-imidazol-1-ylpropyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 78852316
3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
CID 78891707
N-[(3-bromophenyl)methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596350
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 78889333
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119199653
N-[4-(4-fluorophenoxy)butyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33109872
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119512002

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide?
The IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide (CID 55970686) is 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide.
What is the SMILES notation for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide?
The canonical SMILES for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide is O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCCNc1ncccc1C(F)(F)F.
What is the InChIKey of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide?
The InChIKey is HSJXHSABYZQZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c22-21(23,24)16-3-1-9-26-20(16)27-11-10-25-18(29)4-2-12-31-15-6-7-17-14(13-15)5-8-19(30)28-17/h1,3,6-7,9,13H,2,4-5,8,10-12H2,(H,25,29)(H,26,27)(H,28,30).
What are the key properties of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide?
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide has a molecular weight of 436.43 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]butanamide is sourced from PubChem (CID 55970686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).