2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide

C23H25N3O4S — CID 55466253

IUPAC2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2c1
InChIInChI=1S/C23H25N3O4S/c1-15-4-7-21-18(12-15)13-20(17(3)24-21)23(27)25-22-14-19(6-5-16(22)2)31(28,29)26-8-10-30-11-9-26/h4-7,12-14H,8-11H2,1-3H3,(H,25,27)
InChIKeyZFNPADHHIVBRLA-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.43
Rot. Bonds4

About 2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide

2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide (PubChem CID 55466253) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide
PubChem CID55466253
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2c1
InChIInChI=1S/C23H25N3O4S/c1-15-4-7-21-18(12-15)13-20(17(3)24-21)23(27)25-22-14-19(6-5-16(22)2)31(28,29)26-8-10-30-11-9-26/h4-7,12-14H,8-11H2,1-3H3,(H,25,27)
InChIKeyZFNPADHHIVBRLA-UHFFFAOYSA-N
XLogP3.43
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2,5-dimethylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 2596699
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 26909307
ethyl 2-methyl-6-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)carbamoyl]pyridine-3-carboxylate
CID 55600474
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 18277170
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2331045
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
3,4,5-trichloro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide
CID 16545868
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide (CID 55466253) is 2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2c1.
What is the InChIKey of 2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide?
The InChIKey is ZFNPADHHIVBRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-15-4-7-21-18(12-15)13-20(17(3)24-21)23(27)25-22-14-19(6-5-16(22)2)31(28,29)26-8-10-30-11-9-26/h4-7,12-14H,8-11H2,1-3H3,(H,25,27).
What are the key properties of 2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide?
2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 55466253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).