N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide

C22H25N3O3S — CID 112812647

IUPACN,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)c2cccnc12
InChIInChI=1S/C22H25N3O3S/c1-17-9-10-21(19-7-5-11-23-22(17)19)29(26,27)24(2)16-18-6-3-4-8-20(18)25-12-14-28-15-13-25/h3-11H,12-16H2,1-2H3
InChIKeyMBDGGWNXYOYIFE-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.20
Rot. Bonds5

About N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide

N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide (PubChem CID 112812647) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide
PubChem CID112812647
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)c2cccnc12
InChIInChI=1S/C22H25N3O3S/c1-17-9-10-21(19-7-5-11-23-22(17)19)29(26,27)24(2)16-18-6-3-4-8-20(18)25-12-14-28-15-13-25/h3-11H,12-16H2,1-2H3
InChIKeyMBDGGWNXYOYIFE-UHFFFAOYSA-N
XLogP3.20
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,8-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-5-sulfonamide
CID 136537876
N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide
CID 127878923
3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
CID 104774337
methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate
CID 31767085
N,N-dimethyl-1-(3-morpholin-4-yl-2-pyridinyl)methanamine
CID 156651806
N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
CID 92626603
N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide
CID 113317123
N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide
CID 120664348
N-(2-cyanoethyl)-N-cyclopropyl-8-methylquinoline-5-sulfonamide
CID 60579966
N-(benzenesulfonyl)-N-[(8-methylquinolin-5-yl)methyl]benzenesulfonamide
CID 132565670
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
CID 46634669
8-chloro-N-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)quinoline-5-sulfonamide
CID 129003755

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide?
The IUPAC name of N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide (CID 112812647) is N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide.
What is the SMILES notation for N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide?
The canonical SMILES for N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2N2CCOCC2)c2cccnc12.
What is the InChIKey of N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide?
The InChIKey is MBDGGWNXYOYIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-17-9-10-21(19-7-5-11-23-22(17)19)29(26,27)24(2)16-18-6-3-4-8-20(18)25-12-14-28-15-13-25/h3-11H,12-16H2,1-2H3.
What are the key properties of N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide?
N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide has a molecular weight of 411.53 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide is sourced from PubChem (CID 112812647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).