4-(Benzyloxy)-2-[(heptylsulfanyl)methyl]-3-methylquinoline

HCID 59527296

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCSCc1nc2ccccc2c(OCc2ccccc2)c1C
InChIKey: OYVRTZSYDYMOGB-UHFFFAOYSA-N
Molecular formula: C25H31NOS
Average molar mass: 393.6 g/mol

Names & identifiers

Preferred name: 4-(Benzyloxy)-2-[(heptylsulfanyl)methyl]-3-methylquinoline
IUPAC: 2-(heptylsulfanylmethyl)-3-methyl-4-phenylmethoxyquinoline

Names & synonyms

SCHEMBL3103550OYVRTZSYDYMOGB-UHFFFAOYSA-N4-(benzyloxy)-2-[(heptylsulfanyl)methyl]-3-methylquinoline

Database identifiers

PubChem CID: 59527296

Properties

Computed structural properties

XLogP: 7.4
Topological polar surface area: 47.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 11
Heavy atoms: 28
Formal charge: 0
Complexity: 411

Related reactions

6 records

New reaction record

HRID 384441 reaction equation

HRID 384441As productuspto-grants-2013_02

HRID 384442 reaction equation

HRID 384442As reactantuspto-grants-2013_02

HRID 384489 reaction equation

HRID 384489As reactantuspto-grants-2013_02

HRID 1203319 reaction equation

HRID 1203319As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1223890 reaction equation

HRID 1223890As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1568290 reaction equation

HRID 1568290As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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