4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C25H31N3O5S — CID 24850393

IUPAC4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C25H31N3O5S/c1-19-5-3-6-20-17-21(25(29)26-24(19)20)18-28(12-4-11-27-13-15-33-16-14-27)34(30,31)23-9-7-22(32-2)8-10-23/h3,5-10,17H,4,11-16,18H2,1-2H3,(H,26,29)
InChIKeyJKRIVLGDIBOPGO-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.76
Rot. Bonds9

About 4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 24850393) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID24850393
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C25H31N3O5S/c1-19-5-3-6-20-17-21(25(29)26-24(19)20)18-28(12-4-11-27-13-15-33-16-14-27)34(30,31)23-9-7-22(32-2)8-10-23/h3,5-10,17H,4,11-16,18H2,1-2H3,(H,26,29)
InChIKeyJKRIVLGDIBOPGO-UHFFFAOYSA-N
XLogP2.76
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 655682
N-[4-[3-methoxypropyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]phenyl]acetamide
CID 68901888
4-acetyl-N-(3-hydroxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 24850392
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 1138169
1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 3449736
3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 3169853
4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3149286
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1168903
N-[(4-methoxyphenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 1161532
3-(2,4-dimethylphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 1141870
N-(3-methoxypropyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-6-phenoxypyridine-3-sulfonamide
CID 68904786
3-(3-chlorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 1374900

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 24850393) is 4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCN2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1.
What is the InChIKey of 4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is JKRIVLGDIBOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-19-5-3-6-20-17-21(25(29)26-24(19)20)18-28(12-4-11-27-13-15-33-16-14-27)34(30,31)23-9-7-22(32-2)8-10-23/h3,5-10,17H,4,11-16,18H2,1-2H3,(H,26,29).
What are the key properties of 4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 485.61 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 24850393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).