2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide

C17H17FN2S — CID 115367867

IUPAC2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
SMILESCc1ccc2c(c1)CCCN2c1ccc(C(N)=S)c(F)c1
InChIInChI=1S/C17H17FN2S/c1-11-4-7-16-12(9-11)3-2-8-20(16)13-5-6-14(17(19)21)15(18)10-13/h4-7,9-10H,2-3,8H2,1H3,(H2,19,21)
InChIKeyWUETWFBRSWXPBU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.85
Rot. Bonds2

About 2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide

2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide (PubChem CID 115367867) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide.

Molecular Properties

Compound Name2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
PubChem CID115367867
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC Name2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
SMILESCc1ccc2c(c1)CCCN2c1ccc(C(N)=S)c(F)c1
InChIInChI=1S/C17H17FN2S/c1-11-4-7-16-12(9-11)3-2-8-20(16)13-5-6-14(17(19)21)15(18)10-13/h4-7,9-10H,2-3,8H2,1H3,(H2,19,21)
InChIKeyWUETWFBRSWXPBU-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
CID 106750204
2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63784065
5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide
CID 61305136
(1S)-1-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 63370631
6-methyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)-3,4-dihydro-2H-quinoline
CID 81217990
5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-nitroaniline
CID 106751397
4-(3,4-dihydro-2H-quinolin-1-yl)-2,3-difluorobenzenecarbothioamide
CID 107934465
N-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methyl]ethanamine
CID 43281290
2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 115368336
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115468460
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148
5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 43312932

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide?
The IUPAC name of 2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide (CID 115367867) is 2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide.
What is the SMILES notation for 2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide?
The canonical SMILES for 2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide is Cc1ccc2c(c1)CCCN2c1ccc(C(N)=S)c(F)c1.
What is the InChIKey of 2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide?
The InChIKey is WUETWFBRSWXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-11-4-7-16-12(9-11)3-2-8-20(16)13-5-6-14(17(19)21)15(18)10-13/h4-7,9-10H,2-3,8H2,1H3,(H2,19,21).
What are the key properties of 2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide?
2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide has a molecular weight of 300.40 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide is sourced from PubChem (CID 115367867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).