8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde

C13H14N2O2S — CID 143584291

IUPAC8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde
SMILESCSN(C)c1c(C)c(C=O)c(O)c2ncccc12
InChIInChI=1S/C13H14N2O2S/c1-8-10(7-16)13(17)11-9(5-4-6-14-11)12(8)15(2)18-3/h4-7,17H,1-3H3
InChIKeyKYXLHICVRJIDQM-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.78
Rot. Bonds3

About 8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde

8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde (PubChem CID 143584291) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde.

Molecular Properties

Compound Name8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde
PubChem CID143584291
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde
SMILESCSN(C)c1c(C)c(C=O)c(O)c2ncccc12
InChIInChI=1S/C13H14N2O2S/c1-8-10(7-16)13(17)11-9(5-4-6-14-11)12(8)15(2)18-3/h4-7,17H,1-3H3
InChIKeyKYXLHICVRJIDQM-UHFFFAOYSA-N
XLogP2.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(7-formyl-8-hydroxy-6-methylquinolin-5-yl)-N-methylcarbamate;1-(4-fluorophenyl)-N-methylmethanamine
CID 143334312
6-methylquinoline-5,7,8-triol
CID 137159814
7-fluoro-5-methylquinolin-8-ol
CID 59613713
5,7-dimethylquinolin-8-ol
CID 118341298
N-[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 91518317
N-(7-benzyl-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl)-N-methylmethanesulfonamide
CID 91310633
5,7-diamino-6-methylquinolin-8-ol
CID 23063822
7-chloro-8-hydroxyquinoline-5-carbaldehyde
CID 102399147
N-[7-[(3,5-dichlorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 91202597
8-hydroxy-6-methyl-N-[(E)-2-methylbut-2-enyl]-5-[methyl(methylsulfinyl)amino]quinoline-7-carboxamide
CID 143497969
N-[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-N-methylpyridine-2-sulfonamide
CID 91064964
8-hydroxy-5-methylquinoline-7-carboxamide
CID 21271433

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde?
The IUPAC name of 8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde (CID 143584291) is 8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde.
What is the SMILES notation for 8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde?
The canonical SMILES for 8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde is CSN(C)c1c(C)c(C=O)c(O)c2ncccc12.
What is the InChIKey of 8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde?
The InChIKey is KYXLHICVRJIDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-10(7-16)13(17)11-9(5-4-6-14-11)12(8)15(2)18-3/h4-7,17H,1-3H3.
What are the key properties of 8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde?
8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde has a molecular weight of 262.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde is sourced from PubChem (CID 143584291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).