N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C20H23N3O6S — CID 56565011

IUPACN-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1NS(C)(=O)=O
InChIInChI=1S/C20H23N3O6S/c1-20(2)9-15-12(16(24)10-20)8-13(19(26)22-15)18(25)21-11-5-6-17(29-3)14(7-11)23-30(4,27)28/h5-8,23H,9-10H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyOCSXSZLNBPIVFH-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.16
Rot. Bonds5

About N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56565011) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56565011
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1NS(C)(=O)=O
InChIInChI=1S/C20H23N3O6S/c1-20(2)9-15-12(16(24)10-20)8-13(19(26)22-15)18(25)21-11-5-6-17(29-3)14(7-11)23-30(4,27)28/h5-8,23H,9-10H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyOCSXSZLNBPIVFH-UHFFFAOYSA-N
XLogP2.16
TPSA134.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 17020149
N-(4-iodophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559812
N-(3-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 22426570
7,7-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560086
7,7-dimethyl-2,5-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563167
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
N-[3-(diethylcarbamoyl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559597
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563395
N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56560006
N-[3-(dimethylamino)propyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495467

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56565011) is N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is COc1ccc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is OCSXSZLNBPIVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-20(2)9-15-12(16(24)10-20)8-13(19(26)22-15)18(25)21-11-5-6-17(29-3)14(7-11)23-30(4,27)28/h5-8,23H,9-10H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methoxyphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56565011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).