1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide

C19H22N2O3S — CID 110383213

IUPAC1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-12-9-13(2)19(14(3)10-12)20-25(23,24)16-6-7-17-15(11-16)5-8-18(22)21(17)4/h6-7,9-11,20H,5,8H2,1-4H3
InChIKeyOZFWAAPUKLBOLS-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.32
Rot. Bonds3

About 1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide

1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide (PubChem CID 110383213) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide
PubChem CID110383213
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-12-9-13(2)19(14(3)10-12)20-25(23,24)16-6-7-17-15(11-16)5-8-18(22)21(17)4/h6-7,9-11,20H,5,8H2,1-4H3
InChIKeyOZFWAAPUKLBOLS-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383268
N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383269
N-(2-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383218
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219
N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110627587
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
1-methyl-N-(2-methyl-1,3-benzoxazol-7-yl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110417873
1-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-4,5-dihydro-3H-1-benzazepine-7-sulfonamide
CID 119055282
2,3,5,6-tetramethyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 20933603
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16820558
2-methoxy-5-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16826959
N-cyclopropyl-2-[(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)sulfonylamino]acetamide
CID 110625100

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide (CID 110383213) is 1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)c(C)c1.
What is the InChIKey of 1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide?
The InChIKey is OZFWAAPUKLBOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-9-13(2)19(14(3)10-12)20-25(23,24)16-6-7-17-15(11-16)5-8-18(22)21(17)4/h6-7,9-11,20H,5,8H2,1-4H3.
What are the key properties of 1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide?
1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 110383213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).