2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide

C23H24F3N3O3 — CID 143688101

IUPAC2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide
SMILESCC(NCc1cc2ccc(Oc3ccccc3)cc2n(CCCC(F)(F)F)c1=O)C(N)=O
InChIInChI=1S/C23H24F3N3O3/c1-15(21(27)30)28-14-17-12-16-8-9-19(32-18-6-3-2-4-7-18)13-20(16)29(22(17)31)11-5-10-23(24,25)26/h2-4,6-9,12-13,15,28H,5,10-11,14H2,1H3,(H2,27,30)
InChIKeyZJUPBICHGWSGNU-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.10
Rot. Bonds9

About 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide

2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide (PubChem CID 143688101) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide.

Molecular Properties

Compound Name2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide
PubChem CID143688101
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide
SMILESCC(NCc1cc2ccc(Oc3ccccc3)cc2n(CCCC(F)(F)F)c1=O)C(N)=O
InChIInChI=1S/C23H24F3N3O3/c1-15(21(27)30)28-14-17-12-16-8-9-19(32-18-6-3-2-4-7-18)13-20(16)29(22(17)31)11-5-10-23(24,25)26/h2-4,6-9,12-13,15,28H,5,10-11,14H2,1H3,(H2,27,30)
InChIKeyZJUPBICHGWSGNU-UHFFFAOYSA-N
XLogP4.10
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide with MolForge

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Related Compounds

2-[[7-(3-chlorophenoxy)-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687973
(2S)-2-[[1-(2-ethoxyethyl)-7-(4-methoxyphenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143687890
(2S)-2-[[7-cyano-1-(2-ethoxyethyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688133
(2S)-2-[[1-(2-ethoxyethyl)-6-phenoxybenzimidazol-2-yl]methylamino]propanamide
CID 67427219
1-(2-aminoethyl)-3-(dimethoxymethyl)-7-phenoxyquinolin-2-one
CID 143687924
ethyl 5-[[[1-(2-ethoxyethyl)-2-oxo-7-phenoxyquinolin-3-yl]methylamino]methyl]furan-2-carboxylate
CID 143688154
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide
CID 20922056
(2S)-2-[[6-(4-fluorophenoxy)-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]methylamino]propanamide
CID 46701174
(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]-6-phenoxybenzimidazol-2-yl]methylamino]propanamide
CID 58532163
(2S)-2-[[1-[[(2S)-oxolan-2-yl]methyl]-6-phenoxybenzimidazol-2-yl]methylamino]propanamide
CID 58532215
(2S)-2-[[6-(4-fluorophenoxy)-1-(2-methoxyethyl)benzimidazol-2-yl]methylamino]propanamide
CID 58532117
7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide?
The IUPAC name of 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide (CID 143688101) is 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide.
What is the SMILES notation for 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide?
The canonical SMILES for 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide is CC(NCc1cc2ccc(Oc3ccccc3)cc2n(CCCC(F)(F)F)c1=O)C(N)=O.
What is the InChIKey of 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide?
The InChIKey is ZJUPBICHGWSGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-15(21(27)30)28-14-17-12-16-8-9-19(32-18-6-3-2-4-7-18)13-20(16)29(22(17)31)11-5-10-23(24,25)26/h2-4,6-9,12-13,15,28H,5,10-11,14H2,1H3,(H2,27,30).
What are the key properties of 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide?
2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide has a molecular weight of 447.46 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-7-phenoxy-1-(4,4,4-trifluorobutyl)quinolin-3-yl]methylamino]propanamide is sourced from PubChem (CID 143688101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).