1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine

C24H19F3N2OS — CID 89248377

IUPAC1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine
SMILESC=C(NCc1ccc(C(F)(F)F)cc1)c1cc2ccc(OC)cc2nc1-c1ccsc1
InChIInChI=1S/C24H19F3N2OS/c1-15(28-13-16-3-6-19(7-4-16)24(25,26)27)21-11-17-5-8-20(30-2)12-22(17)29-23(21)18-9-10-31-14-18/h3-12,14,28H,1,13H2,2H3
InChIKeyQTMTWEPERVXENJ-UHFFFAOYSA-N
MW440.49 g/mol
LogP6.75
Rot. Bonds6

About 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine

1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine (PubChem CID 89248377) has the molecular formula C24H19F3N2OS and a molecular weight of 440.49 g/mol. Its IUPAC name is 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine.

Molecular Properties

Compound Name1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine
PubChem CID89248377
Molecular FormulaC24H19F3N2OS
Molecular Weight440.49 g/mol
Exact Mass440.12
IUPAC Name1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine
SMILESC=C(NCc1ccc(C(F)(F)F)cc1)c1cc2ccc(OC)cc2nc1-c1ccsc1
InChIInChI=1S/C24H19F3N2OS/c1-15(28-13-16-3-6-19(7-4-16)24(25,26)27)21-11-17-5-8-20(30-2)12-22(17)29-23(21)18-9-10-31-14-18/h3-12,14,28H,1,13H2,2H3
InChIKeyQTMTWEPERVXENJ-UHFFFAOYSA-N
XLogP6.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.49
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine?
The IUPAC name of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine (CID 89248377) is 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine.
What is the SMILES notation for 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine?
The canonical SMILES for 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine is C=C(NCc1ccc(C(F)(F)F)cc1)c1cc2ccc(OC)cc2nc1-c1ccsc1.
What is the InChIKey of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine?
The InChIKey is QTMTWEPERVXENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2OS/c1-15(28-13-16-3-6-19(7-4-16)24(25,26)27)21-11-17-5-8-20(30-2)12-22(17)29-23(21)18-9-10-31-14-18/h3-12,14,28H,1,13H2,2H3.
What are the key properties of 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine?
1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine has a molecular weight of 440.49 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2-thiophen-3-ylquinolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethenamine is sourced from PubChem (CID 89248377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).