4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one

C19H15ClF3NO3 — CID 10023735

IUPAC4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H15ClF3NO3/c1-24-15-4-2-10(19(21,22)23)8-13(15)17(12(6-7-25)18(24)27)14-9-11(20)3-5-16(14)26/h2-5,8-9,25-26H,6-7H2,1H3
InChIKeyMBTCZBZTIMYUQY-UHFFFAOYSA-N
MW397.78 g/mol
LogP4.12
Rot. Bonds3

About 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one

4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one (PubChem CID 10023735) has the molecular formula C19H15ClF3NO3 and a molecular weight of 397.78 g/mol. Its IUPAC name is 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
PubChem CID10023735
Molecular FormulaC19H15ClF3NO3
Molecular Weight397.78 g/mol
Exact Mass397.07
IUPAC Name4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H15ClF3NO3/c1-24-15-4-2-10(19(21,22)23)8-13(15)17(12(6-7-25)18(24)27)14-9-11(20)3-5-16(14)26/h2-5,8-9,25-26H,6-7H2,1H3
InChIKeyMBTCZBZTIMYUQY-UHFFFAOYSA-N
XLogP4.12
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one (CID 10023735) is 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one is Cn1c(=O)c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one?
The InChIKey is MBTCZBZTIMYUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3NO3/c1-24-15-4-2-10(19(21,22)23)8-13(15)17(12(6-7-25)18(24)27)14-9-11(20)3-5-16(14)26/h2-5,8-9,25-26H,6-7H2,1H3.
What are the key properties of 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one?
4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one has a molecular weight of 397.78 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 10023735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).