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

C17H19N3O3S — CID 75361115

IUPAC4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c1
InChIInChI=1S/C17H19N3O3S/c1-11-6-7-18-15(8-11)20-24(22,23)12-4-5-14-13(9-12)17(2,3)10-16(21)19-14/h4-9H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYUOBCMYCIIMRKH-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.81
Rot. Bonds3

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

4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide (PubChem CID 75361115) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
PubChem CID75361115
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c1
InChIInChI=1S/C17H19N3O3S/c1-11-6-7-18-15(8-11)20-24(22,23)12-4-5-14-13(9-12)17(2,3)10-16(21)19-14/h4-9H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYUOBCMYCIIMRKH-UHFFFAOYSA-N
XLogP2.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide with MolForge

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Related Compounds

N-(4-methyl-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 119055169
N-(4-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119948
N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361116
(2R)-2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 25301090
N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91938462
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
CID 35141950
N-(4-chloro-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115687703
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958469
3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide
CID 91938558
4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 71671396
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
4-[(4-methyl-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 30053774

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The IUPAC name of 4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide (CID 75361115) is 4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for 4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The canonical SMILES for 4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c1.
What is the InChIKey of 4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The InChIKey is YUOBCMYCIIMRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-6-7-18-15(8-11)20-24(22,23)12-4-5-14-13(9-12)17(2,3)10-16(21)19-14/h4-9H,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 75361115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).