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

C17H12ClF3N2O2 — CID 54229322

IUPAC3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)c(N)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H12ClF3N2O2/c1-23-12-4-2-8(17(19,20)21)6-10(12)14(15(22)16(23)25)11-7-9(18)3-5-13(11)24/h2-7,24H,22H2,1H3
InChIKeyQICRANMGVTXTQZ-UHFFFAOYSA-N
MW368.74 g/mol
LogP4.17
Rot. Bonds1

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

3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one (PubChem CID 54229322) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is 3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
PubChem CID54229322
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)c(N)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C17H12ClF3N2O2/c1-23-12-4-2-8(17(19,20)21)6-10(12)14(15(22)16(23)25)11-7-9(18)3-5-13(11)24/h2-7,24H,22H2,1H3
InChIKeyQICRANMGVTXTQZ-UHFFFAOYSA-N
XLogP4.17
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one (CID 54229322) is 3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one is Cn1c(=O)c(N)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one?
The InChIKey is QICRANMGVTXTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c1-23-12-4-2-8(17(19,20)21)6-10(12)14(15(22)16(23)25)11-7-9(18)3-5-13(11)24/h2-7,24H,22H2,1H3.
What are the key properties of 3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one?
3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one has a molecular weight of 368.74 g/mol, XLogP of 4.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 54229322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).