N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide

C17H21ClN2O3S — CID 146944204

IUPACN-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cc2nc(OC)c(C(C)=NS(=O)C(C)(C)C)cc2cc1Cl
InChIInChI=1S/C17H21ClN2O3S/c1-10(20-24(21)17(2,3)4)12-7-11-8-13(18)15(22-5)9-14(11)19-16(12)23-6/h7-9H,1-6H3
InChIKeyFZMXICHVAHYYBY-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.18
Rot. Bonds4

About N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide

N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 146944204) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID146944204
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC NameN-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCOc1cc2nc(OC)c(C(C)=NS(=O)C(C)(C)C)cc2cc1Cl
InChIInChI=1S/C17H21ClN2O3S/c1-10(20-24(21)17(2,3)4)12-7-11-8-13(18)15(22-5)9-14(11)19-16(12)23-6/h7-9H,1-6H3
InChIKeyFZMXICHVAHYYBY-UHFFFAOYSA-N
XLogP4.18
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 146944204) is N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide is COc1cc2nc(OC)c(C(C)=NS(=O)C(C)(C)C)cc2cc1Cl.
What is the InChIKey of N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is FZMXICHVAHYYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-10(20-24(21)17(2,3)4)12-7-11-8-13(18)15(22-5)9-14(11)19-16(12)23-6/h7-9H,1-6H3.
What are the key properties of N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide?
N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 368.89 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-2,7-dimethoxyquinolin-3-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146944204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).