7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine

C15H20N2O2S — CID 62189479

IUPAC7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
SMILESCNc1nc2cc(OC)ccc2cc1CSCCOC
InChIInChI=1S/C15H20N2O2S/c1-16-15-12(10-20-7-6-18-2)8-11-4-5-13(19-3)9-14(11)17-15/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,17)
InChIKeySTVNSYFXUNWUCE-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.16
Rot. Bonds7

About 7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine

7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine (PubChem CID 62189479) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine.

Molecular Properties

Compound Name7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
PubChem CID62189479
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
SMILESCNc1nc2cc(OC)ccc2cc1CSCCOC
InChIInChI=1S/C15H20N2O2S/c1-16-15-12(10-20-7-6-18-2)8-11-4-5-13(19-3)9-14(11)17-15/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,17)
InChIKeySTVNSYFXUNWUCE-UHFFFAOYSA-N
XLogP3.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-7-methoxy-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
CID 62189480
2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol
CID 62188625
3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine
CID 63485538
3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol
CID 107771944
7-methoxy-N-methyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 106925505
7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine
CID 62193406
[7-methoxy-3-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62251762
N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
CID 62190013
methyl 2-[(2-hydrazinyl-7-methoxyquinolin-3-yl)methylsulfanyl]acetate
CID 62251194
7-methoxy-3-(3-methylbutylsulfanylmethyl)quinolin-2-amine
CID 107756672
3-(butan-2-yloxymethyl)-7-methoxy-N-methylquinolin-2-amine
CID 62188180
methyl 3-[[2-(methylamino)quinolin-3-yl]methylsulfanyl]propanoate
CID 62189130

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine?
The IUPAC name of 7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine (CID 62189479) is 7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine.
What is the SMILES notation for 7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine?
The canonical SMILES for 7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine is CNc1nc2cc(OC)ccc2cc1CSCCOC.
What is the InChIKey of 7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine?
The InChIKey is STVNSYFXUNWUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-16-15-12(10-20-7-6-18-2)8-11-4-5-13(19-3)9-14(11)17-15/h4-5,8-9H,6-7,10H2,1-3H3,(H,16,17).
What are the key properties of 7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine?
7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine has a molecular weight of 292.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine is sourced from PubChem (CID 62189479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).