1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione

C16H14FN3S — CID 22918214

IUPAC1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione
SMILESCc1cnc(-c2cc3c(cc2F)c(=S)ccn3C2CC2)[nH]1
InChIInChI=1S/C16H14FN3S/c1-9-8-18-16(19-9)11-7-14-12(6-13(11)17)15(21)4-5-20(14)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,18,19)
InChIKeyPJXHRHVVKYXVPG-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.54
Rot. Bonds2

About 1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione

1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione (PubChem CID 22918214) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione
PubChem CID22918214
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC Name1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione
SMILESCc1cnc(-c2cc3c(cc2F)c(=S)ccn3C2CC2)[nH]1
InChIInChI=1S/C16H14FN3S/c1-9-8-18-16(19-9)11-7-14-12(6-13(11)17)15(21)4-5-20(14)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,18,19)
InChIKeyPJXHRHVVKYXVPG-UHFFFAOYSA-N
XLogP4.54
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
CID 135139864
4,6-difluoro-1-(4-methylcyclohexyl)indole
CID 118162022
2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine
CID 157368022
2-(2,5-dimethylphenyl)-5-methyl-1H-imidazole
CID 151776982
7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 174358365
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 110104922
1-ethyl-6,7-difluoroquinoline-4-thione
CID 22918262
8-[3,5-bis(trifluoromethyl)phenyl]-N-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 87554298
1-cyclopropyl-6-fluoro-4-oxo-7-[6-(propylsulfanylamino)-3-pyridinyl]quinoline-3-carboxylic acid
CID 174358097
1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 155914149
2-(4-fluorophenyl)-1-[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110110349
3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide
CID 155944024

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione?
The IUPAC name of 1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione (CID 22918214) is 1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione?
The canonical SMILES for 1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione is Cc1cnc(-c2cc3c(cc2F)c(=S)ccn3C2CC2)[nH]1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione?
The InChIKey is PJXHRHVVKYXVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c1-9-8-18-16(19-9)11-7-14-12(6-13(11)17)15(21)4-5-20(14)10-2-3-10/h4-8,10H,2-3H2,1H3,(H,18,19).
What are the key properties of 1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione?
1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione has a molecular weight of 299.37 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-7-(5-methyl-1H-imidazol-2-yl)quinoline-4-thione is sourced from PubChem (CID 22918214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).