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

C23H17F3N2O2S — CID 24969702

IUPACN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C23H17F3N2O2S/c1-30-19-7-4-15-10-17(21(28-20(15)11-19)16-8-9-31-13-16)12-27-22(29)14-2-5-18(6-3-14)23(24,25)26/h2-11,13H,12H2,1H3,(H,27,29)
InChIKeyFCXXOKXGRKYYSY-UHFFFAOYSA-N
MW442.46 g/mol
LogP5.92
Rot. Bonds5

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

N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 24969702) has the molecular formula C23H17F3N2O2S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID24969702
Molecular FormulaC23H17F3N2O2S
Molecular Weight442.46 g/mol
Exact Mass442.10
IUPAC NameN-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1
InChIInChI=1S/C23H17F3N2O2S/c1-30-19-7-4-15-10-17(21(28-20(15)11-19)16-8-9-31-13-16)12-27-22(29)14-2-5-18(6-3-14)23(24,25)26/h2-11,13H,12H2,1H3,(H,27,29)
InChIKeyFCXXOKXGRKYYSY-UHFFFAOYSA-N
XLogP5.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.46
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide (CID 24969702) is N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide is COc1ccc2cc(CNC(=O)c3ccc(C(F)(F)F)cc3)c(-c3ccsc3)nc2c1.
What is the InChIKey of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is FCXXOKXGRKYYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2S/c1-30-19-7-4-15-10-17(21(28-20(15)11-19)16-8-9-31-13-16)12-27-22(29)14-2-5-18(6-3-14)23(24,25)26/h2-11,13H,12H2,1H3,(H,27,29).
What are the key properties of N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide?
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 442.46 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 24969702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).