2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide

C20H16ClF3N2O4 — CID 11669364

IUPAC2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
SMILESNC(=O)Cn1c(=O)c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H16ClF3N2O4/c21-11-2-4-16(28)14(8-11)18-12(5-6-27)19(30)26(9-17(25)29)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,27-28H,5-6,9H2,(H2,25,29)
InChIKeyGQCGJUPPZILNPJ-UHFFFAOYSA-N
MW440.81 g/mol
LogP3.07
Rot. Bonds5

About 2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide

2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide (PubChem CID 11669364) has the molecular formula C20H16ClF3N2O4 and a molecular weight of 440.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
PubChem CID11669364
Molecular FormulaC20H16ClF3N2O4
Molecular Weight440.81 g/mol
Exact Mass440.08
IUPAC Name2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide
SMILESNC(=O)Cn1c(=O)c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H16ClF3N2O4/c21-11-2-4-16(28)14(8-11)18-12(5-6-27)19(30)26(9-17(25)29)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,27-28H,5-6,9H2,(H2,25,29)
InChIKeyGQCGJUPPZILNPJ-UHFFFAOYSA-N
XLogP3.07
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.81
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
The IUPAC name of 2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide (CID 11669364) is 2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide is NC(=O)Cn1c(=O)c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
The InChIKey is GQCGJUPPZILNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O4/c21-11-2-4-16(28)14(8-11)18-12(5-6-27)19(30)26(9-17(25)29)15-3-1-10(7-13(15)18)20(22,23)24/h1-4,7-8,27-28H,5-6,9H2,(H2,25,29).
What are the key properties of 2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide?
2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide has a molecular weight of 440.81 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-2-oxo-6-(trifluoromethyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 11669364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).