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

C19H15ClF3NO3 — CID 69120890

IUPAC4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(Cc2cc(Cl)ccc2O)c1CCO
InChIInChI=1S/C19H15ClF3NO3/c20-12-2-4-17(26)10(7-12)8-14-13(5-6-25)18(27)24-16-3-1-11(9-15(14)16)19(21,22)23/h1-4,7,9,25-26H,5-6,8H2,(H,24,27)
InChIKeyMHAWMGLUDFJXOU-UHFFFAOYSA-N
MW397.78 g/mol
LogP4.03
Rot. Bonds4

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

4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 69120890) has the molecular formula C19H15ClF3NO3 and a molecular weight of 397.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID69120890
Molecular FormulaC19H15ClF3NO3
Molecular Weight397.78 g/mol
Exact Mass397.07
IUPAC Name4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(Cc2cc(Cl)ccc2O)c1CCO
InChIInChI=1S/C19H15ClF3NO3/c20-12-2-4-17(26)10(7-12)8-14-13(5-6-25)18(27)24-16-3-1-11(9-15(14)16)19(21,22)23/h1-4,7,9,25-26H,5-6,8H2,(H,24,27)
InChIKeyMHAWMGLUDFJXOU-UHFFFAOYSA-N
XLogP4.03
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one (CID 69120890) is 4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one is O=c1[nH]c2ccc(C(F)(F)F)cc2c(Cc2cc(Cl)ccc2O)c1CCO.
What is the InChIKey of 4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is MHAWMGLUDFJXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3NO3/c20-12-2-4-17(26)10(7-12)8-14-13(5-6-25)18(27)24-16-3-1-11(9-15(14)16)19(21,22)23/h1-4,7,9,25-26H,5-6,8H2,(H,24,27).
What are the key properties of 4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 397.78 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-hydroxyphenyl)methyl]-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 69120890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).