N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C26H21F3N2O2 — CID 118928945

IUPACN-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(-c2ccc(CNC(=O)Cc3ccc(C(F)(F)F)cc3)c3ncccc23)c1
InChIInChI=1S/C26H21F3N2O2/c1-33-21-5-2-4-18(15-21)22-12-9-19(25-23(22)6-3-13-30-25)16-31-24(32)14-17-7-10-20(11-8-17)26(27,28)29/h2-13,15H,14,16H2,1H3,(H,31,32)
InChIKeyYNXHGBDYDVIBDF-UHFFFAOYSA-N
MW450.46 g/mol
LogP5.79
Rot. Bonds6

About N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 118928945) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID118928945
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC NameN-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(-c2ccc(CNC(=O)Cc3ccc(C(F)(F)F)cc3)c3ncccc23)c1
InChIInChI=1S/C26H21F3N2O2/c1-33-21-5-2-4-18(15-21)22-12-9-19(25-23(22)6-3-13-30-25)16-31-24(32)14-17-7-10-20(11-8-17)26(27,28)29/h2-13,15H,14,16H2,1H3,(H,31,32)
InChIKeyYNXHGBDYDVIBDF-UHFFFAOYSA-N
XLogP5.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 118928945) is N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is COc1cccc(-c2ccc(CNC(=O)Cc3ccc(C(F)(F)F)cc3)c3ncccc23)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YNXHGBDYDVIBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c1-33-21-5-2-4-18(15-21)22-12-9-19(25-23(22)6-3-13-30-25)16-31-24(32)14-17-7-10-20(11-8-17)26(27,28)29/h2-13,15H,14,16H2,1H3,(H,31,32).
What are the key properties of N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 450.46 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)quinolin-8-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 118928945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).