[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium

C16H10ClF3N2O4P+ — CID 118665746

IUPAC[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)Oc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C16H9ClF3N2O4P/c17-11-3-1-2-9-4-7-14(22-15(9)11)21-12-6-5-10(25-16(18,19)20)8-13(12)26-27(23)24/h1-8H,(H-,21,22,23,24)/p+1
InChIKeyGAXCUZUXJZELHO-UHFFFAOYSA-O
MW417.69 g/mol
LogP5.56
Rot. Bonds5

About [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium

[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium (PubChem CID 118665746) has the molecular formula C16H10ClF3N2O4P+ and a molecular weight of 417.69 g/mol. Its IUPAC name is [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
PubChem CID118665746
Molecular FormulaC16H10ClF3N2O4P+
Molecular Weight417.69 g/mol
Exact Mass417.00
IUPAC Name[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)Oc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C16H9ClF3N2O4P/c17-11-3-1-2-9-4-7-14(22-15(9)11)21-12-6-5-10(25-16(18,19)20)8-13(12)26-27(23)24/h1-8H,(H-,21,22,23,24)/p+1
InChIKeyGAXCUZUXJZELHO-UHFFFAOYSA-O
XLogP5.56
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.69
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
CID 177312689
8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine
CID 146299492
8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine
CID 146299498
N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
CID 177312706
N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
CID 146295747
[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]urea
CID 177312661
N-[3-chloro-4-(trifluoromethoxy)phenyl]-8-methylquinolin-2-amine
CID 90292040
8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline
CID 177312715
N-[(8-chloroquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 177312697
8-chloro-N-[4-(2-methoxyethoxy)-2-methylphenyl]quinolin-2-amine;8-chloro-N-(4-methoxy-2-methylphenyl)quinolin-2-amine;8-chloro-N-(2-methyl-4-propan-2-yloxyphenyl)quinolin-2-amine;8-chloro-N-[2-propyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-cyclopropyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine;N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
CID 158632343
8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine
CID 146299494
8-chloro-N-[2-(trifluoromethyl)-2,3-dihydropyridin-6-yl]quinolin-2-amine
CID 71143170

Frequently Asked Questions

What is the IUPAC name of [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium?
The IUPAC name of [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium (CID 118665746) is [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium is O=[P+](O)Oc1cc(OC(F)(F)F)ccc1Nc1ccc2cccc(Cl)c2n1.
What is the InChIKey of [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium?
The InChIKey is GAXCUZUXJZELHO-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H9ClF3N2O4P/c17-11-3-1-2-9-4-7-14(22-15(9)11)21-12-6-5-10(25-16(18,19)20)8-13(12)26-27(23)24/h1-8H,(H-,21,22,23,24)/p+1.
What are the key properties of [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium?
[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium has a molecular weight of 417.69 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 118665746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).