N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine

C15H20N2OS — CID 62190013

IUPACN-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CSCCOC
InChIInChI=1S/C15H20N2OS/c1-3-16-15-13(11-19-9-8-18-2)10-12-6-4-5-7-14(12)17-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,16,17)
InChIKeyMATJSQMFHCKCTE-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.55
Rot. Bonds7

About N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine

N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine (PubChem CID 62190013) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
PubChem CID62190013
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CSCCOC
InChIInChI=1S/C15H20N2OS/c1-3-16-15-13(11-19-9-8-18-2)10-12-6-4-5-7-14(12)17-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,16,17)
InChIKeyMATJSQMFHCKCTE-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine
CID 62195600
N-ethyl-3-propylquinolin-2-amine
CID 63232591
N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
CID 62189453
2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol
CID 62188625
7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
CID 62189479
methyl 3-[[2-(methylamino)quinolin-3-yl]methylsulfanyl]propanoate
CID 62189130
N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 62188972
N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 106925507
N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine
CID 62193399
3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine
CID 62182539
[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
CID 55240821

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine?
The IUPAC name of N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine (CID 62190013) is N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine.
What is the SMILES notation for N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine?
The canonical SMILES for N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine is CCNc1nc2ccccc2cc1CSCCOC.
What is the InChIKey of N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine?
The InChIKey is MATJSQMFHCKCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-16-15-13(11-19-9-8-18-2)10-12-6-4-5-7-14(12)17-15/h4-7,10H,3,8-9,11H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine?
N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine is sourced from PubChem (CID 62190013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).