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

C19H22N2O3S — CID 110383266

IUPACN-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C19H22N2O3S/c1-4-21(16-7-5-6-14(2)12-16)25(23,24)17-9-10-18-15(13-17)8-11-19(22)20(18)3/h5-7,9-10,12-13H,4,8,11H2,1-3H3
InChIKeyIWAIRJDCHAQRGS-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.12
Rot. Bonds4

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

N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide (PubChem CID 110383266) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
PubChem CID110383266
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C19H22N2O3S/c1-4-21(16-7-5-6-14(2)12-16)25(23,24)17-9-10-18-15(13-17)8-11-19(22)20(18)3/h5-7,9-10,12-13H,4,8,11H2,1-3H3
InChIKeyIWAIRJDCHAQRGS-UHFFFAOYSA-N
XLogP3.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The IUPAC name of N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide (CID 110383266) is N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The canonical SMILES for N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The InChIKey is IWAIRJDCHAQRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-21(16-7-5-6-14(2)12-16)25(23,24)17-9-10-18-15(13-17)8-11-19(22)20(18)3/h5-7,9-10,12-13H,4,8,11H2,1-3H3.
What are the key properties of N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-(3-methylphenyl)-2-oxo-3,4-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 110383266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).