4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide

C18H19N3O2S — CID 166845406

IUPAC4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide
SMILESCNS(=O)c1ccc(CNc2ccnc3cc(OC)ccc23)cc1
InChIInChI=1S/C18H19N3O2S/c1-19-24(22)15-6-3-13(4-7-15)12-21-17-9-10-20-18-11-14(23-2)5-8-16(17)18/h3-11,19H,12H2,1-2H3,(H,20,21)
InChIKeyAZFCVCNBUMGLRJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.10
Rot. Bonds6

About 4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide

4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide (PubChem CID 166845406) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide.

Molecular Properties

Compound Name4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide
PubChem CID166845406
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide
SMILESCNS(=O)c1ccc(CNc2ccnc3cc(OC)ccc23)cc1
InChIInChI=1S/C18H19N3O2S/c1-19-24(22)15-6-3-13(4-7-15)12-21-17-9-10-20-18-11-14(23-2)5-8-16(17)18/h3-11,19H,12H2,1-2H3,(H,20,21)
InChIKeyAZFCVCNBUMGLRJ-UHFFFAOYSA-N
XLogP3.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
N-[(4-fluorophenyl)methyl]-6-methoxyquinolin-4-amine
CID 166633819
N-[(4-methoxyphenyl)methyl]-6-methylquinolin-4-amine
CID 133466915
N-(7-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 45483572
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline
CID 157040683
3-[4-[(7-methoxyquinolin-4-yl)methyl]anilino]propan-1-ol
CID 142073498
4,7-dimethoxyquinoline
CID 20743716
methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate
CID 9112911
2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one
CID 59843110
2-[3-[(7-methoxyquinolin-4-yl)amino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate
CID 88828145

Frequently Asked Questions

What is the IUPAC name of 4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide?
The IUPAC name of 4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide (CID 166845406) is 4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide.
What is the SMILES notation for 4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide?
The canonical SMILES for 4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide is CNS(=O)c1ccc(CNc2ccnc3cc(OC)ccc23)cc1.
What is the InChIKey of 4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide?
The InChIKey is AZFCVCNBUMGLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-19-24(22)15-6-3-13(4-7-15)12-21-17-9-10-20-18-11-14(23-2)5-8-16(17)18/h3-11,19H,12H2,1-2H3,(H,20,21).
What are the key properties of 4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide?
4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide has a molecular weight of 341.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide is sourced from PubChem (CID 166845406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).