N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

C22H27N3O6S2 — CID 28544504

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H27N3O6S2/c1-16-5-7-19(15-21(16)33(29,30)24-10-12-31-13-11-24)23-22(26)18-6-8-20-17(14-18)4-3-9-25(20)32(2,27)28/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,23,26)
InChIKeyVOGZGBHMJQLVEC-UHFFFAOYSA-N
MW493.61 g/mol
LogP1.98
Rot. Bonds5

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 28544504) has the molecular formula C22H27N3O6S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID28544504
Molecular FormulaC22H27N3O6S2
Molecular Weight493.61 g/mol
Exact Mass493.13
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H27N3O6S2/c1-16-5-7-19(15-21(16)33(29,30)24-10-12-31-13-11-24)23-22(26)18-6-8-20-17(14-18)4-3-9-25(20)32(2,27)28/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,23,26)
InChIKeyVOGZGBHMJQLVEC-UHFFFAOYSA-N
XLogP1.98
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

2-methyl-5-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]benzoic acid
CID 119255068
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705854
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-(3-chloro-4-cyanophenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 26700840
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 26283470
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 7658024
1-methylsulfonyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 41311402
N-dibenzofuran-3-yl-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 5306913

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 28544504) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is VOGZGBHMJQLVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S2/c1-16-5-7-19(15-21(16)33(29,30)24-10-12-31-13-11-24)23-22(26)18-6-8-20-17(14-18)4-3-9-25(20)32(2,27)28/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,23,26).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 28544504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).