(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone

C22H25FN2O3S — CID 55971406

IUPAC(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCc3ccc(F)cc32)c1
InChIInChI=1S/C22H25FN2O3S/c1-16-6-2-3-13-25(16)29(27,28)20-9-4-7-18(14-20)22(26)24-12-5-8-17-10-11-19(23)15-21(17)24/h4,7,9-11,14-16H,2-3,5-6,8,12-13H2,1H3
InChIKeyGUAKQJFOUSHUQD-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.98
Rot. Bonds3

About (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone

(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 55971406) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID55971406
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC Name(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCc3ccc(F)cc32)c1
InChIInChI=1S/C22H25FN2O3S/c1-16-6-2-3-13-25(16)29(27,28)20-9-4-7-18(14-20)22(26)24-12-5-8-17-10-11-19(23)15-21(17)24/h4,7,9-11,14-16H,2-3,5-6,8,12-13H2,1H3
InChIKeyGUAKQJFOUSHUQD-UHFFFAOYSA-N
XLogP3.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone with MolForge

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Related Compounds

(2R)-1-[3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]piperidine-2-carboxylic acid
CID 40809123
(2R)-1-[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-2-carboxylic acid
CID 119371631
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
CID 154832079
[2-(4-fluorophenyl)-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7829746
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55979789
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 119486439
(3-methylpiperazin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119579874
1-[6-(2-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 15997303
[4-[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55330142
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone (CID 55971406) is (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCCc3ccc(F)cc32)c1.
What is the InChIKey of (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is GUAKQJFOUSHUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c1-16-6-2-3-13-25(16)29(27,28)20-9-4-7-18(14-20)22(26)24-12-5-8-17-10-11-19(23)15-21(17)24/h4,7,9-11,14-16H,2-3,5-6,8,12-13H2,1H3.
What are the key properties of (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 416.52 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 55971406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).