N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide

C20H15F3N2O2 — CID 129305263

IUPACN-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc(Oc2ccc(C(F)(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C20H15F3N2O2/c1-2-19(26)24-12-14-11-18(16-5-3-4-6-17(16)25-14)27-15-9-7-13(8-10-15)20(21,22)23/h2-11H,1,12H2,(H,24,26)
InChIKeyIKKIXCQZEPUZFM-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.85
Rot. Bonds5

About N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide

N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide (PubChem CID 129305263) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide
PubChem CID129305263
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC NameN-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cc(Oc2ccc(C(F)(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C20H15F3N2O2/c1-2-19(26)24-12-14-11-18(16-5-3-4-6-17(16)25-14)27-15-9-7-13(8-10-15)20(21,22)23/h2-11H,1,12H2,(H,24,26)
InChIKeyIKKIXCQZEPUZFM-UHFFFAOYSA-N
XLogP4.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
N-[[1-[4-(trifluoromethyl)phenoxy]isoquinolin-4-yl]methyl]prop-2-enamide
CID 129305218
N-[[1-[4-(trifluoromethyl)phenyl]indol-2-yl]methyl]prop-2-enamide
CID 168830334
N-[4-phenoxy-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 166414376
2-(chloromethyl)-4-(4-iodophenoxy)quinoline
CID 63446807
N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine
CID 63377578
N-(1H-benzimidazol-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]benzamide
CID 146022167
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 176698652
[4-(3-methylphenoxy)quinolin-2-yl]methanol
CID 63376019
N-[[3-(2-chlorophenoxy)phenyl]methyl]prop-2-enamide
CID 146095228
2-chloro-4-[4-[2-[4-(2-chloroquinolin-4-yl)oxyphenyl]propan-2-yl]phenoxy]quinoline
CID 102235402
N-[(4-but-3-enoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377041

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide (CID 129305263) is N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide is C=CC(=O)NCc1cc(Oc2ccc(C(F)(F)F)cc2)c2ccccc2n1.
What is the InChIKey of N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide?
The InChIKey is IKKIXCQZEPUZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-2-19(26)24-12-14-11-18(16-5-3-4-6-17(16)25-14)27-15-9-7-13(8-10-15)20(21,22)23/h2-11H,1,12H2,(H,24,26).
What are the key properties of N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide?
N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide has a molecular weight of 372.35 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 129305263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).