7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide

C25H25N3O5S — CID 2945255

IUPAC7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide
SMILESCc1ccc(-n2c3c(cc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)c2=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H25N3O5S/c1-15-4-8-17(9-5-15)28-21-13-25(2,3)14-22(29)19(21)12-20(24(28)31)23(30)27-16-6-10-18(11-7-16)34(26,32)33/h4-12H,13-14H2,1-3H3,(H,27,30)(H2,26,32,33)
InChIKeyGBACNDXWNMOYHK-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.20
Rot. Bonds4

About 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide

7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide (PubChem CID 2945255) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide
PubChem CID2945255
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide
SMILESCc1ccc(-n2c3c(cc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)c2=O)C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C25H25N3O5S/c1-15-4-8-17(9-5-15)28-21-13-25(2,3)14-22(29)19(21)12-20(24(28)31)23(30)27-16-6-10-18(11-7-16)34(26,32)33/h4-12H,13-14H2,1-3H3,(H,27,30)(H2,26,32,33)
InChIKeyGBACNDXWNMOYHK-UHFFFAOYSA-N
XLogP3.20
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-(4-butoxyphenyl)-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
CID 2200272
4-[2-(4-bromophenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl]benzenesulfonamide
CID 4031441
1-(4-chlorophenyl)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
CID 5202932
7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(oxolan-2-ylmethyl)-6,8-dihydroquinoline-3-carboxamide
CID 2951423
N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382827
1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
CID 71668941
1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylate
CID 5085685
N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
CID 3152511
N-(2,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
CID 1090171
7,7-dimethyl-2,5-dioxo-1-phenyl-N,N-di(propan-2-yl)-6,8-dihydroquinoline-3-carboxamide
CID 23884754
N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 1293972
2,5-dioxo-N,1-diphenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 2054310

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide?
The IUPAC name of 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide (CID 2945255) is 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide.
What is the SMILES notation for 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide?
The canonical SMILES for 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide is Cc1ccc(-n2c3c(cc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)c2=O)C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide?
The InChIKey is GBACNDXWNMOYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-15-4-8-17(9-5-15)28-21-13-25(2,3)14-22(29)19(21)12-20(24(28)31)23(30)27-16-6-10-18(11-7-16)34(26,32)33/h4-12H,13-14H2,1-3H3,(H,27,30)(H2,26,32,33).
What are the key properties of 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide?
7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 2945255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).