6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

C17H18FNO2S — CID 3786582

IUPAC6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cccc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)c1
InChIInChI=1S/C17H18FNO2S/c1-12-4-3-5-16(10-12)22(20,21)19-13(2)6-7-14-11-15(18)8-9-17(14)19/h3-5,8-11,13H,6-7H2,1-2H3
InChIKeyOUNLZLSJEOQGGQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.66
Rot. Bonds2

About 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 3786582) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID3786582
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cccc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)c1
InChIInChI=1S/C17H18FNO2S/c1-12-4-3-5-16(10-12)22(20,21)19-13(2)6-7-14-11-15(18)8-9-17(14)19/h3-5,8-11,13H,6-7H2,1-2H3
InChIKeyOUNLZLSJEOQGGQ-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 903484
1-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-3-(4-methylphenyl)thiourea
CID 25237642
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
6-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 7526437
1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
CID 4729991
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
CID 19682834
1-(5-chlorothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
CID 19682833
4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
CID 17374314
1-(3,4-dimethylphenyl)-3-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiourea
CID 25237648
1-(5-chloro-2-methylphenyl)-3-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]propane-2-thione
CID 161266901

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 3786582) is 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is Cc1cccc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)c1.
What is the InChIKey of 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is OUNLZLSJEOQGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-12-4-3-5-16(10-12)22(20,21)19-13(2)6-7-14-11-15(18)8-9-17(14)19/h3-5,8-11,13H,6-7H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 319.40 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 3786582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).