3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one

C22H14ClF3N2O2 — CID 69335904

IUPAC3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one
SMILESNc1ccc(-c2c(-c3cc(Cl)ccc3O)c3cccc(C(F)(F)F)c3[nH]c2=O)cc1
InChIInChI=1S/C22H14ClF3N2O2/c23-12-6-9-17(29)15(10-12)19-14-2-1-3-16(22(24,25)26)20(14)28-21(30)18(19)11-4-7-13(27)8-5-11/h1-10,29H,27H2,(H,28,30)
InChIKeyAHKLMNWODHNXCO-UHFFFAOYSA-N
MW430.81 g/mol
LogP5.82
Rot. Bonds2

About 3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one

3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 69335904) has the molecular formula C22H14ClF3N2O2 and a molecular weight of 430.81 g/mol. Its IUPAC name is 3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID69335904
Molecular FormulaC22H14ClF3N2O2
Molecular Weight430.81 g/mol
Exact Mass430.07
IUPAC Name3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one
SMILESNc1ccc(-c2c(-c3cc(Cl)ccc3O)c3cccc(C(F)(F)F)c3[nH]c2=O)cc1
InChIInChI=1S/C22H14ClF3N2O2/c23-12-6-9-17(29)15(10-12)19-14-2-1-3-16(22(24,25)26)20(14)28-21(30)18(19)11-4-7-13(27)8-5-11/h1-10,29H,27H2,(H,28,30)
InChIKeyAHKLMNWODHNXCO-UHFFFAOYSA-N
XLogP5.82
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.81
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168550858
4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
CID 91056281
4-(5-chloro-2-hydroxyphenyl)-3-[(E)-hydroxyiminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one
CID 135549392
3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
CID 121236451
3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
CID 54229322
4-(5-chloro-2-hydroxyphenyl)-3-(4-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 11294207
4-(4-aminophenyl)-5-(trifluoromethyl)-2H-phthalazin-1-one
CID 68753469
3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 68745449
5-(trifluoromethyl)naphthalen-1-ol
CID 90487530
2-chloro-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3715017
2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide
CID 11167641
4,8-dihydroxy-3-phenyl-1H-quinolin-2-one
CID 110272879

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one (CID 69335904) is 3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one is Nc1ccc(-c2c(-c3cc(Cl)ccc3O)c3cccc(C(F)(F)F)c3[nH]c2=O)cc1.
What is the InChIKey of 3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is AHKLMNWODHNXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N2O2/c23-12-6-9-17(29)15(10-12)19-14-2-1-3-16(22(24,25)26)20(14)28-21(30)18(19)11-4-7-13(27)8-5-11/h1-10,29H,27H2,(H,28,30).
What are the key properties of 3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one?
3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 430.81 g/mol, XLogP of 5.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-4-(5-chloro-2-hydroxyphenyl)-8-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 69335904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).