imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane

C18H18N2O3S — CID 157040809

IUPACimino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(COc2ccnc3c(OC)cccc23)cc1
InChIInChI=1S/C18H18N2O3S/c1-22-17-5-3-4-15-16(10-11-20-18(15)17)23-12-13-6-8-14(9-7-13)24(2,19)21/h3-11,19H,12H2,1-2H3
InChIKeyWQKIZKUPSQLUKH-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.86
Rot. Bonds5

About imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane

imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane (PubChem CID 157040809) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
PubChem CID157040809
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Nameimino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(COc2ccnc3c(OC)cccc23)cc1
InChIInChI=1S/C18H18N2O3S/c1-22-17-5-3-4-15-16(10-11-20-18(15)17)23-12-13-6-8-14(9-7-13)24(2,19)21/h3-11,19H,12H2,1-2H3
InChIKeyWQKIZKUPSQLUKH-UHFFFAOYSA-N
XLogP3.86
TPSA72.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Actinoquinol
CID 23674
N-(4-[4-[(6-Butyl-8-quinolinyl)oxy]-1-piperidinyl]butyl)ethanesulfonamide, dihydrochloride salt
CID 25164128
4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide
CID 25189510
6-Butyl-8-[1-(3-tert-butylsulfonylpropyl)piperidin-4-yl]oxyquinoline
CID 25190195
6-Butyl-8-[1-(3-propan-2-ylsulfonylpropyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 137662184
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
N,N-dibutyl-8-methoxyquinoline-5-sulfonamide
CID 613863
N-butyl-8-methoxyquinoline-5-sulfonamide
CID 626312
8-Ethoxyquinoline
CID 73781
Kryptofix 5
CID 93310
4-(Quinolinoxy)-3-pyridinesulfonamide
CID 45028568
4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide
CID 46703923

Frequently Asked Questions

What is the IUPAC name of imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane (CID 157040809) is imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(COc2ccnc3c(OC)cccc23)cc1.
What is the InChIKey of imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane?
The InChIKey is WQKIZKUPSQLUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-22-17-5-3-4-15-16(10-11-20-18(15)17)23-12-13-6-8-14(9-7-13)24(2,19)21/h3-11,19H,12H2,1-2H3.
What are the key properties of imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane?
imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane has a molecular weight of 342.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[4-[(8-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 157040809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).