N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

C23H16F6N2OS — CID 24969609

IUPACN-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)Oc1ccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C23H16F6N2OS/c24-22(25,26)18-4-1-14(2-5-18)11-30-12-17-9-15-3-6-19(32-23(27,28)29)10-20(15)31-21(17)16-7-8-33-13-16/h1-10,13,30H,11-12H2
InChIKeyGWNVLFKKMBBQNI-UHFFFAOYSA-N
MW482.45 g/mol
LogP7.17
Rot. Bonds6

About N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 24969609) has the molecular formula C23H16F6N2OS and a molecular weight of 482.45 g/mol. Its IUPAC name is N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID24969609
Molecular FormulaC23H16F6N2OS
Molecular Weight482.45 g/mol
Exact Mass482.09
IUPAC NameN-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)Oc1ccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C23H16F6N2OS/c24-22(25,26)18-4-1-14(2-5-18)11-30-12-17-9-15-3-6-19(32-23(27,28)29)10-20(15)31-21(17)16-7-8-33-13-16/h1-10,13,30H,11-12H2
InChIKeyGWNVLFKKMBBQNI-UHFFFAOYSA-N
XLogP7.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.45
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 24969609) is N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is FC(F)(F)Oc1ccc2cc(CNCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1.
What is the InChIKey of N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GWNVLFKKMBBQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N2OS/c24-22(25,26)18-4-1-14(2-5-18)11-30-12-17-9-15-3-6-19(32-23(27,28)29)10-20(15)31-21(17)16-7-8-33-13-16/h1-10,13,30H,11-12H2.
What are the key properties of N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 482.45 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-thiophen-3-yl-7-(trifluoromethoxy)quinolin-3-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 24969609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).