7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine

C17H22ClN3O2S — CID 133433966

IUPAC7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine
SMILESCc1c(Cl)ccc2ccc(NCCCN3CCS(=O)(=O)CC3)nc12
InChIInChI=1S/C17H22ClN3O2S/c1-13-15(18)5-3-14-4-6-16(20-17(13)14)19-7-2-8-21-9-11-24(22,23)12-10-21/h3-6H,2,7-12H2,1H3,(H,19,20)
InChIKeyUGMBLTZKAWLIOG-UHFFFAOYSA-N
MW367.90 g/mol
LogP2.73
Rot. Bonds5

About 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine

7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine (PubChem CID 133433966) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine
PubChem CID133433966
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine
SMILESCc1c(Cl)ccc2ccc(NCCCN3CCS(=O)(=O)CC3)nc12
InChIInChI=1S/C17H22ClN3O2S/c1-13-15(18)5-3-14-4-6-16(20-17(13)14)19-7-2-8-21-9-11-24(22,23)12-10-21/h3-6H,2,7-12H2,1H3,(H,19,20)
InChIKeyUGMBLTZKAWLIOG-UHFFFAOYSA-N
XLogP2.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine?
The IUPAC name of 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine (CID 133433966) is 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine.
What is the SMILES notation for 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine?
The canonical SMILES for 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine is Cc1c(Cl)ccc2ccc(NCCCN3CCS(=O)(=O)CC3)nc12.
What is the InChIKey of 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine?
The InChIKey is UGMBLTZKAWLIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-13-15(18)5-3-14-4-6-16(20-17(13)14)19-7-2-8-21-9-11-24(22,23)12-10-21/h3-6H,2,7-12H2,1H3,(H,19,20).
What are the key properties of 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine?
7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine has a molecular weight of 367.90 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-8-methylquinolin-2-amine is sourced from PubChem (CID 133433966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).