N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide

C21H15F3N2O3 — CID 11429487

IUPACN,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(C(F)(F)F)ccc34)ccc12
InChIInChI=1S/C21H15F3N2O3/c1-11-19(20(27)25-2)15-6-4-13(10-18(15)28-11)29-17-7-8-26-16-9-12(21(22,23)24)3-5-14(16)17/h3-10H,1-2H3,(H,25,27)
InChIKeyVGCIFDIWWUNSGI-UHFFFAOYSA-N
MW400.36 g/mol
LogP5.46
Rot. Bonds3

About N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide

N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide (PubChem CID 11429487) has the molecular formula C21H15F3N2O3 and a molecular weight of 400.36 g/mol. Its IUPAC name is N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
PubChem CID11429487
Molecular FormulaC21H15F3N2O3
Molecular Weight400.36 g/mol
Exact Mass400.10
IUPAC NameN,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(C(F)(F)F)ccc34)ccc12
InChIInChI=1S/C21H15F3N2O3/c1-11-19(20(27)25-2)15-6-4-13(10-18(15)28-11)29-17-7-8-26-16-9-12(21(22,23)24)3-5-14(16)17/h3-10H,1-2H3,(H,25,27)
InChIKeyVGCIFDIWWUNSGI-UHFFFAOYSA-N
XLogP5.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.36
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The IUPAC name of N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide (CID 11429487) is N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide is CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(C(F)(F)F)ccc34)ccc12.
What is the InChIKey of N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
The InChIKey is VGCIFDIWWUNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3/c1-11-19(20(27)25-2)15-6-4-13(10-18(15)28-11)29-17-7-8-26-16-9-12(21(22,23)24)3-5-14(16)17/h3-10H,1-2H3,(H,25,27).
What are the key properties of N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide?
N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[7-(trifluoromethyl)quinolin-4-yl]oxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 11429487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).