7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine

C22H17F3N2OS — CID 59804087

IUPAC7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine
SMILESCOc1ccc2cc(NCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H17F3N2OS/c1-28-18-7-4-15-10-20(21(27-19(15)11-18)16-8-9-29-13-16)26-12-14-2-5-17(6-3-14)22(23,24)25/h2-11,13,26H,12H2,1H3
InChIKeyHVCVEOPYFOAYOX-UHFFFAOYSA-N
MW414.45 g/mol
LogP6.60
Rot. Bonds5

About 7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine

7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine (PubChem CID 59804087) has the molecular formula C22H17F3N2OS and a molecular weight of 414.45 g/mol. Its IUPAC name is 7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine.

Molecular Properties

Compound Name7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine
PubChem CID59804087
Molecular FormulaC22H17F3N2OS
Molecular Weight414.45 g/mol
Exact Mass414.10
IUPAC Name7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine
SMILESCOc1ccc2cc(NCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C22H17F3N2OS/c1-28-18-7-4-15-10-20(21(27-19(15)11-18)16-8-9-29-13-16)26-12-14-2-5-17(6-3-14)22(23,24)25/h2-11,13,26H,12H2,1H3
InChIKeyHVCVEOPYFOAYOX-UHFFFAOYSA-N
XLogP6.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.45
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine?
The IUPAC name of 7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine (CID 59804087) is 7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine.
What is the SMILES notation for 7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine?
The canonical SMILES for 7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine is COc1ccc2cc(NCc3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1.
What is the InChIKey of 7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine?
The InChIKey is HVCVEOPYFOAYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2OS/c1-28-18-7-4-15-10-20(21(27-19(15)11-18)16-8-9-29-13-16)26-12-14-2-5-17(6-3-14)22(23,24)25/h2-11,13,26H,12H2,1H3.
What are the key properties of 7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine?
7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine has a molecular weight of 414.45 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinolin-3-amine is sourced from PubChem (CID 59804087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).