N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide

C14H17FN2S — CID 17269034

IUPACN-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCC1CCc2cc(F)ccc2N1C(=S)NC1CC1
InChIInChI=1S/C14H17FN2S/c1-9-2-3-10-8-11(15)4-7-13(10)17(9)14(18)16-12-5-6-12/h4,7-9,12H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyBCMRLPOSHFNQFV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.00
Rot. Bonds1

About N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide

N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide (PubChem CID 17269034) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
PubChem CID17269034
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESCC1CCc2cc(F)ccc2N1C(=S)NC1CC1
InChIInChI=1S/C14H17FN2S/c1-9-2-3-10-8-11(15)4-7-13(10)17(9)14(18)16-12-5-6-12/h4,7-9,12H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyBCMRLPOSHFNQFV-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654784
N-ethyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654814
N-(3,5-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654790
N-[(4-chlorophenyl)methyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17298702
N-(4-ethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654779
6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17284495
N-(2,4-dimethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654794
6-fluoro-2-methyl-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 4767953
N-(3-ethylphenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 71821626
methyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 5170358
(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 8619560
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The IUPAC name of N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide (CID 17269034) is N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide.
What is the SMILES notation for N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The canonical SMILES for N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide is CC1CCc2cc(F)ccc2N1C(=S)NC1CC1.
What is the InChIKey of N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
The InChIKey is BCMRLPOSHFNQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9-2-3-10-8-11(15)4-7-13(10)17(9)14(18)16-12-5-6-12/h4,7-9,12H,2-3,5-6H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide?
N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide has a molecular weight of 264.37 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide is sourced from PubChem (CID 17269034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).