2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline

C19H16FNOS — CID 23614349

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline
SMILESC=CCOc1cc(SCc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C19H16FNOS/c1-2-11-22-18-12-19(21-17-6-4-3-5-16(17)18)23-13-14-7-9-15(20)10-8-14/h2-10,12H,1,11,13H2
InChIKeyRZVALTUYSXWQMQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.23
Rot. Bonds6

About 2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline

2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline (PubChem CID 23614349) has the molecular formula C19H16FNOS and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline
PubChem CID23614349
Molecular FormulaC19H16FNOS
Molecular Weight325.41 g/mol
Exact Mass325.09
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline
SMILESC=CCOc1cc(SCc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C19H16FNOS/c1-2-11-22-18-12-19(21-17-6-4-3-5-16(17)18)23-13-14-7-9-15(20)10-8-14/h2-10,12H,1,11,13H2
InChIKeyRZVALTUYSXWQMQ-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-2-Phenylquinoline
CID 826247
Ethanamine, N,N-dimethyl-2-((3-(2-methoxyphenyl)-2-quinolinyl)thio)-, monohydrochloride
CID 3069816
Quinolinium, 1-ethyl-2-(ethylthio)-6-methoxy-, iodide (1:1)
CID 114298
9-Phenoxyacridine
CID 100640
N-butyl-N-[3-[4-(2-propan-2-ylquinolin-3-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10006046
2-[3-(4-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 13200248
2-(2-Dimethylaminoethylthio)-4-methoxy-3-o-tolylquinoline hydrochloride
CID 14001273
9-Acridinyl butyl ether
CID 45488807
6-Methoxy-4-methyl-2-methylsulfanylquinoline
CID 942030
4-Ethoxy-2-phenylquinoline
CID 14954061
Propan-2-yl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
CID 864465
N-(4-methoxyphenyl)-3-(2-quinolinylthio)propanamide
CID 890011

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline (CID 23614349) is 2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline is C=CCOc1cc(SCc2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline?
The InChIKey is RZVALTUYSXWQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS/c1-2-11-22-18-12-19(21-17-6-4-3-5-16(17)18)23-13-14-7-9-15(20)10-8-14/h2-10,12H,1,11,13H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline?
2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline has a molecular weight of 325.41 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enoxyquinoline is sourced from PubChem (CID 23614349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).