1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one

C21H24N2O3S — CID 110342860

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
SMILESO=C(CCS(=O)(=O)N1CCCc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C21H24N2O3S/c24-21(22-14-5-9-17-7-1-3-11-19(17)22)13-16-27(25,26)23-15-6-10-18-8-2-4-12-20(18)23/h1-4,7-8,11-12H,5-6,9-10,13-16H2
InChIKeyXZSJXAITRCRQDL-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.14
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one (PubChem CID 110342860) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
PubChem CID110342860
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
SMILESO=C(CCS(=O)(=O)N1CCCc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C21H24N2O3S/c24-21(22-14-5-9-17-7-1-3-11-19(17)22)13-16-27(25,26)23-15-6-10-18-8-2-4-12-20(18)23/h1-4,7-8,11-12H,5-6,9-10,13-16H2
InChIKeyXZSJXAITRCRQDL-UHFFFAOYSA-N
XLogP3.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one with MolForge

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Related Compounds

1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propanamide
CID 110342823
3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide
CID 110342965
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methylphenyl)propanamide
CID 110342855
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide
CID 110342828
3-(4-bromophenyl)sulfonyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4087818
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one (CID 110342860) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one is O=C(CCS(=O)(=O)N1CCCc2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one?
The InChIKey is XZSJXAITRCRQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-21(22-14-5-9-17-7-1-3-11-19(17)22)13-16-27(25,26)23-15-6-10-18-8-2-4-12-20(18)23/h1-4,7-8,11-12H,5-6,9-10,13-16H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one has a molecular weight of 384.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one is sourced from PubChem (CID 110342860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).