1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one

C18H24BrNO3S — CID 86887076

IUPAC1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one
SMILESCc1cc(Br)cc2c1N(C(=O)CCS(=O)(=O)C1CCCC1)CCC2
InChIInChI=1S/C18H24BrNO3S/c1-13-11-15(19)12-14-5-4-9-20(18(13)14)17(21)8-10-24(22,23)16-6-2-3-7-16/h11-12,16H,2-10H2,1H3
InChIKeyDQOVSTRQPJYAMB-UHFFFAOYSA-N
MW414.37 g/mol
LogP3.78
Rot. Bonds4

About 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one

1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one (PubChem CID 86887076) has the molecular formula C18H24BrNO3S and a molecular weight of 414.37 g/mol. Its IUPAC name is 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one
PubChem CID86887076
Molecular FormulaC18H24BrNO3S
Molecular Weight414.37 g/mol
Exact Mass413.07
IUPAC Name1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one
SMILESCc1cc(Br)cc2c1N(C(=O)CCS(=O)(=O)C1CCCC1)CCC2
InChIInChI=1S/C18H24BrNO3S/c1-13-11-15(19)12-14-5-4-9-20(18(13)14)17(21)8-10-24(22,23)16-6-2-3-7-16/h11-12,16H,2-10H2,1H3
InChIKeyDQOVSTRQPJYAMB-UHFFFAOYSA-N
XLogP3.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one with MolForge

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Related Compounds

(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 86887149
2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86933947
1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 86887082
4-(6-bromo-8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 86887090
3-cyclopentylsulfonyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55759883
tert-butyl 5-bromo-7-methyl-2,3-dihydroindole-1-carboxylate
CID 153360716
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86887068
(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 86887108
ethyl 3-cyclopentylsulfonylpropanoate
CID 61236159
methyl 8-methyl-1-[3-(2-oxopyrrolidin-1-yl)propanoyl]-3,4-dihydro-2H-quinoline-6-carboxylate
CID 136560807

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one?
The IUPAC name of 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one (CID 86887076) is 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one.
What is the SMILES notation for 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one?
The canonical SMILES for 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one is Cc1cc(Br)cc2c1N(C(=O)CCS(=O)(=O)C1CCCC1)CCC2.
What is the InChIKey of 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one?
The InChIKey is DQOVSTRQPJYAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO3S/c1-13-11-15(19)12-14-5-4-9-20(18(13)14)17(21)8-10-24(22,23)16-6-2-3-7-16/h11-12,16H,2-10H2,1H3.
What are the key properties of 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one?
1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one has a molecular weight of 414.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-cyclopentylsulfonylpropan-1-one is sourced from PubChem (CID 86887076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).