N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide

C20H19F3N2O — CID 155353588

IUPACN-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C20H19F3N2O/c1-2-19(26)24-17-11-12-25(18-6-4-3-5-16(17)18)13-14-7-9-15(10-8-14)20(21,22)23/h2-10,17H,1,11-13H2,(H,24,26)
InChIKeyFPOYQCKQCKCCOP-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.46
Rot. Bonds4

About N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide

N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide (PubChem CID 155353588) has the molecular formula C20H19F3N2O and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide
PubChem CID155353588
Molecular FormulaC20H19F3N2O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC NameN-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C20H19F3N2O/c1-2-19(26)24-17-11-12-25(18-6-4-3-5-16(17)18)13-14-7-9-15(10-8-14)20(21,22)23/h2-10,17H,1,11-13H2,(H,24,26)
InChIKeyFPOYQCKQCKCCOP-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide (CID 155353588) is N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(Cc2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide?
The InChIKey is FPOYQCKQCKCCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O/c1-2-19(26)24-17-11-12-25(18-6-4-3-5-16(17)18)13-14-7-9-15(10-8-14)20(21,22)23/h2-10,17H,1,11-13H2,(H,24,26).
What are the key properties of N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide?
N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide has a molecular weight of 360.38 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-4-yl]prop-2-enamide is sourced from PubChem (CID 155353588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).