3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide

C19H22N2O3S — CID 110342965

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)CCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-20(17-10-3-2-4-11-17)25(23,24)15-13-19(22)21-14-7-9-16-8-5-6-12-18(16)21/h2-6,8,10-12H,7,9,13-15H2,1H3
InChIKeyNEUMKKCWQKLKNG-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.82
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide

3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide (PubChem CID 110342965) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide
PubChem CID110342965
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)CCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H22N2O3S/c1-20(17-10-3-2-4-11-17)25(23,24)15-13-19(22)21-14-7-9-16-8-5-6-12-18(16)21/h2-6,8,10-12H,7,9,13-15H2,1H3
InChIKeyNEUMKKCWQKLKNG-UHFFFAOYSA-N
XLogP2.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)propan-1-one
CID 110342860
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
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
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2412874
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838496
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide (CID 110342965) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide is CN(c1ccccc1)S(=O)(=O)CCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide?
The InChIKey is NEUMKKCWQKLKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-20(17-10-3-2-4-11-17)25(23,24)15-13-19(22)21-14-7-9-16-8-5-6-12-18(16)21/h2-6,8,10-12H,7,9,13-15H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-3-oxo-N-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110342965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).