N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide

C26H20F3N3O3 — CID 44583639

IUPACN-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ccnc12
InChIInChI=1S/C26H20F3N3O3/c1-15-9-10-19(32-25(34)17-5-3-6-18(13-17)26(27,28)29)14-23(15)35-22-11-12-30-24-20(22)7-4-8-21(24)31-16(2)33/h3-14H,1-2H3,(H,31,33)(H,32,34)
InChIKeyAZNJXWQLJKWISD-UHFFFAOYSA-N
MW479.46 g/mol
LogP6.57
Rot. Bonds5

About N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 44583639) has the molecular formula C26H20F3N3O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID44583639
Molecular FormulaC26H20F3N3O3
Molecular Weight479.46 g/mol
Exact Mass479.15
IUPAC NameN-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ccnc12
InChIInChI=1S/C26H20F3N3O3/c1-15-9-10-19(32-25(34)17-5-3-6-18(13-17)26(27,28)29)14-23(15)35-22-11-12-30-24-20(22)7-4-8-21(24)31-16(2)33/h3-14H,1-2H3,(H,31,33)(H,32,34)
InChIKeyAZNJXWQLJKWISD-UHFFFAOYSA-N
XLogP6.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.46
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 44583639) is N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide is CC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)ccnc12.
What is the InChIKey of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is AZNJXWQLJKWISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O3/c1-15-9-10-19(32-25(34)17-5-3-6-18(13-17)26(27,28)29)14-23(15)35-22-11-12-30-24-20(22)7-4-8-21(24)31-16(2)33/h3-14H,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 479.46 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 44583639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).