N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide

C21H22N4O5S — CID 118695192

IUPACN-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)cc12
InChIInChI=1S/C21H22N4O5S/c1-13-10-20(26)24-18-4-2-14(11-16(13)18)23-21(27)17-12-15(31(22,28)29)3-5-19(17)25-6-8-30-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,23,27)(H,24,26)(H2,22,28,29)
InChIKeyBTKZSGQLSGIFDE-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.57
Rot. Bonds4

About N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide

N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide (PubChem CID 118695192) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
PubChem CID118695192
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)cc12
InChIInChI=1S/C21H22N4O5S/c1-13-10-20(26)24-18-4-2-14(11-16(13)18)23-21(27)17-12-15(31(22,28)29)3-5-19(17)25-6-8-30-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,23,27)(H,24,26)(H2,22,28,29)
InChIKeyBTKZSGQLSGIFDE-UHFFFAOYSA-N
XLogP1.57
TPSA134.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 118695361
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357
N-(9-ethylcarbazol-3-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 35623772
5-(dimethylsulfamoyl)-2-(3-hydroxypyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 118695136
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
5-isocyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 140820718
N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-(4-methylpentyl)-2-pyrrolidin-1-ylbenzamide
CID 157255920
5-[[2-hydroxyethyl(methyl)amino]methyl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylbenzamide
CID 118695250
N-[4-(dimethylamino)-3-methylphenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55672285
N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55377130
2-(hydroxymethyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-pyrrolidin-1-ylpyridine-4-carboxamide
CID 118695977

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
The IUPAC name of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide (CID 118695192) is N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
The canonical SMILES for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)cc12.
What is the InChIKey of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
The InChIKey is BTKZSGQLSGIFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-13-10-20(26)24-18-4-2-14(11-16(13)18)23-21(27)17-12-15(31(22,28)29)3-5-19(17)25-6-8-30-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,23,27)(H,24,26)(H2,22,28,29).
What are the key properties of N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide has a molecular weight of 442.50 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 118695192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).