2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline

C21H18FNS — CID 123797068

IUPAC2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline
SMILESCSC=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H18FNS/c1-24-13-12-18-20(14-8-10-16(22)11-9-14)17-4-2-3-5-19(17)23-21(18)15-6-7-15/h2-5,8-13,15H,6-7H2,1H3
InChIKeyXUKDTEJUWKWIEW-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.25
Rot. Bonds4

About 2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline

2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline (PubChem CID 123797068) has the molecular formula C21H18FNS and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline
PubChem CID123797068
Molecular FormulaC21H18FNS
Molecular Weight335.45 g/mol
Exact Mass335.11
IUPAC Name2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline
SMILESCSC=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIInChI=1S/C21H18FNS/c1-24-13-12-18-20(14-8-10-16(22)11-9-14)17-4-2-3-5-19(17)23-21(18)15-6-7-15/h2-5,8-13,15H,6-7H2,1H3
InChIKeyXUKDTEJUWKWIEW-UHFFFAOYSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-en-1-ol
CID 15480490
(E)-1-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-1-ene-3,5-diol
CID 22412416
2-cyclopropyl-3-(3,3-dimethylbut-1-enyl)-4-(4-methylphenyl)quinoline;2-cyclopropyl-3-[(E)-3,3-dimethylbut-1-enyl]-4-(4-methylphenyl)quinoline
CID 162286872
2-cyclopropyl-3-[2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]ethenyl]-4-(4-fluorophenyl)quinoline
CID 175698373
2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-amine
CID 163732207
(4S,6R)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
CID 11003967
(Z,3S,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 100942119
(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
CID 6366718
calcium;bis((E,1R,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-1,3,5-trihydroxyhept-6-en-1-olate);pentahydrate
CID 140809264
[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-triphenylphosphanium
CID 87095849
calcium;(E,3R,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride
CID 173005876
2-cyclopropyl-3-(diethoxyphosphorylmethyl)-4-(4-fluorophenyl)quinoline
CID 46897065

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline?
The IUPAC name of 2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline (CID 123797068) is 2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline.
What is the SMILES notation for 2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline?
The canonical SMILES for 2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline is CSC=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.
What is the InChIKey of 2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline?
The InChIKey is XUKDTEJUWKWIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNS/c1-24-13-12-18-20(14-8-10-16(22)11-9-14)17-4-2-3-5-19(17)23-21(18)15-6-7-15/h2-5,8-13,15H,6-7H2,1H3.
What are the key properties of 2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline?
2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline has a molecular weight of 335.45 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-fluorophenyl)-3-(2-methylsulfanylethenyl)quinoline is sourced from PubChem (CID 123797068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).