4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one

C17H10ClF3N2O3 — CID 91056281

IUPAC4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=NCc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O
InChIInChI=1S/C17H10ClF3N2O3/c18-9-2-4-14(24)11(6-9)15-10-5-8(17(19,20)21)1-3-13(10)23-16(25)12(15)7-22-26/h1-6,24H,7H2,(H,23,25)
InChIKeyHTWJKCQSMHHZKH-UHFFFAOYSA-N
MW382.73 g/mol
LogP4.84
Rot. Bonds3

About 4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one

4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 91056281) has the molecular formula C17H10ClF3N2O3 and a molecular weight of 382.73 g/mol. Its IUPAC name is 4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID91056281
Molecular FormulaC17H10ClF3N2O3
Molecular Weight382.73 g/mol
Exact Mass382.03
IUPAC Name4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=NCc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O
InChIInChI=1S/C17H10ClF3N2O3/c18-9-2-4-14(24)11(6-9)15-10-5-8(17(19,20)21)1-3-13(10)23-16(25)12(15)7-22-26/h1-6,24H,7H2,(H,23,25)
InChIKeyHTWJKCQSMHHZKH-UHFFFAOYSA-N
XLogP4.84
TPSA82.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 54.84
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-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one (CID 91056281) is 4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one is O=NCc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O.
What is the InChIKey of 4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is HTWJKCQSMHHZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O3/c18-9-2-4-14(24)11(6-9)15-10-5-8(17(19,20)21)1-3-13(10)23-16(25)12(15)7-22-26/h1-6,24H,7H2,(H,23,25).
What are the key properties of 4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one?
4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 382.73 g/mol, XLogP of 4.84, 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-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 91056281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).