S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine

C17H16FN3OS — CID 142539954

IUPACS-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine
SMILESCOc1ccc2c(-c3ccc(CNSN)cc3)c(F)cnc2c1
InChIInChI=1S/C17H16FN3OS/c1-22-13-6-7-14-16(8-13)20-10-15(18)17(14)12-4-2-11(3-5-12)9-21-23-19/h2-8,10,21H,9,19H2,1H3
InChIKeyJHLSLWOTFYLUEV-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.66
Rot. Bonds5

About S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine

S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine (PubChem CID 142539954) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine.

Molecular Properties

Compound NameS-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine
PubChem CID142539954
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameS-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine
SMILESCOc1ccc2c(-c3ccc(CNSN)cc3)c(F)cnc2c1
InChIInChI=1S/C17H16FN3OS/c1-22-13-6-7-14-16(8-13)20-10-15(18)17(14)12-4-2-11(3-5-12)9-21-23-19/h2-8,10,21H,9,19H2,1H3
InChIKeyJHLSLWOTFYLUEV-UHFFFAOYSA-N
XLogP3.66
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine 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

4-(4-fluorophenyl)-7-methoxy-3-propan-2-ylquinoline
CID 156880047
N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-1-(4-methoxyphenyl)methanamine
CID 134534763
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756513
6-fluoro-4-(4-methoxyphenyl)-3-methylquinoline
CID 122371652
[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
CID 175036962
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819
(7-methoxyquinazolin-4-yl)methanamine
CID 105443558
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924977
4,7-dimethoxyquinoline
CID 20743716

Frequently Asked Questions

What is the IUPAC name of S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine?
The IUPAC name of S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine (CID 142539954) is S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine.
What is the SMILES notation for S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine?
The canonical SMILES for S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine is COc1ccc2c(-c3ccc(CNSN)cc3)c(F)cnc2c1.
What is the InChIKey of S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine?
The InChIKey is JHLSLWOTFYLUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-22-13-6-7-14-16(8-13)20-10-15(18)17(14)12-4-2-11(3-5-12)9-21-23-19/h2-8,10,21H,9,19H2,1H3.
What are the key properties of S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine?
S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine has a molecular weight of 329.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[[4-(3-fluoro-7-methoxyquinolin-4-yl)phenyl]methylamino]thiohydroxylamine is sourced from PubChem (CID 142539954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).