2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol

C15H20N2O2S — CID 62188625

IUPAC2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol
SMILESCCNc1nc2cc(OC)ccc2cc1CSCCO
InChIInChI=1S/C15H20N2O2S/c1-3-16-15-12(10-20-7-6-18)8-11-4-5-13(19-2)9-14(11)17-15/h4-5,8-9,18H,3,6-7,10H2,1-2H3,(H,16,17)
InChIKeyPXCPEESYZFDHCB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.90
Rot. Bonds7

About 2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol

2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol (PubChem CID 62188625) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol
PubChem CID62188625
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol
SMILESCCNc1nc2cc(OC)ccc2cc1CSCCO
InChIInChI=1S/C15H20N2O2S/c1-3-16-15-12(10-20-7-6-18)8-11-4-5-13(19-2)9-14(11)17-15/h4-5,8-9,18H,3,6-7,10H2,1-2H3,(H,16,17)
InChIKeyPXCPEESYZFDHCB-UHFFFAOYSA-N
XLogP2.90
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
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
7-methoxy-3-(2-methoxyethylsulfanylmethyl)-N-methylquinolin-2-amine
CID 62189479
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-(methylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62251762
7-methoxy-3-(methoxymethyl)-N-propylquinolin-2-amine
CID 62194206
3-[[7-methoxy-2-(methylamino)quinolin-3-yl]methylsulfanyl]butan-2-ol
CID 107771944
7-methoxy-3-(3-methylbutylsulfanylmethyl)quinolin-2-amine
CID 107756672
7-methoxy-3-(propan-2-yloxymethyl)-N-propylquinolin-2-amine
CID 62193913
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
3-(cyclopentylsulfanylmethyl)-7-methoxy-N-methylquinolin-2-amine
CID 63485538
7-methoxy-N-methyl-3-[(2-methylpropan-2-yl)oxymethyl]quinolin-2-amine
CID 62193406

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol?
The IUPAC name of 2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol (CID 62188625) is 2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol.
What is the SMILES notation for 2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol?
The canonical SMILES for 2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol is CCNc1nc2cc(OC)ccc2cc1CSCCO.
What is the InChIKey of 2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol?
The InChIKey is PXCPEESYZFDHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-16-15-12(10-20-7-6-18)8-11-4-5-13(19-2)9-14(11)17-15/h4-5,8-9,18H,3,6-7,10H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol?
2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol has a molecular weight of 292.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-7-methoxyquinolin-3-yl]methylsulfanyl]ethanol is sourced from PubChem (CID 62188625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).