N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C21H20N4O4S — CID 122303890

IUPACN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1nc(Oc2ccccc2)nc(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H20N4O4S/c1-13-20(14(2)23-21(22-13)29-16-6-4-3-5-7-16)25-30(27,28)17-9-10-18-15(12-17)8-11-19(26)24-18/h3-7,9-10,12,25H,8,11H2,1-2H3,(H,24,26)
InChIKeyGNSCMMCJQPIMOU-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.57
Rot. Bonds5

About N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 122303890) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID122303890
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1nc(Oc2ccccc2)nc(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H20N4O4S/c1-13-20(14(2)23-21(22-13)29-16-6-4-3-5-7-16)25-30(27,28)17-9-10-18-15(12-17)8-11-19(26)24-18/h3-7,9-10,12,25H,8,11H2,1-2H3,(H,24,26)
InChIKeyGNSCMMCJQPIMOU-UHFFFAOYSA-N
XLogP3.57
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122303656
N-(2,6-dimethylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927828
N-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601955
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 122313308
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635
N-(3,5-dimethoxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927827
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7993271
N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide
CID 55676569
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 122253370
methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 8842372

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 122303890) is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1nc(Oc2ccccc2)nc(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is GNSCMMCJQPIMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-13-20(14(2)23-21(22-13)29-16-6-4-3-5-7-16)25-30(27,28)17-9-10-18-15(12-17)8-11-19(26)24-18/h3-7,9-10,12,25H,8,11H2,1-2H3,(H,24,26).
What are the key properties of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 424.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 122303890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).