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

C21H20BrN3O5S — CID 118695361

IUPAC2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Br)cc12
InChIInChI=1S/C21H20BrN3O5S/c1-13-10-20(26)24-19-5-2-14(11-16(13)19)23-21(27)17-12-15(3-4-18(17)22)31(28,29)25-6-8-30-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,23,27)(H,24,26)
InChIKeyIWHCASLLFYAISO-UHFFFAOYSA-N
MW506.38 g/mol
LogP2.87
Rot. Bonds4

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

2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 118695361) has the molecular formula C21H20BrN3O5S and a molecular weight of 506.38 g/mol. Its IUPAC name is 2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID118695361
Molecular FormulaC21H20BrN3O5S
Molecular Weight506.38 g/mol
Exact Mass505.03
IUPAC Name2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Br)cc12
InChIInChI=1S/C21H20BrN3O5S/c1-13-10-20(26)24-19-5-2-14(11-16(13)19)23-21(27)17-12-15(3-4-18(17)22)31(28,29)25-6-8-30-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,23,27)(H,24,26)
InChIKeyIWHCASLLFYAISO-UHFFFAOYSA-N
XLogP2.87
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 118695192
N-[4-(dimethylamino)-3-methylphenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55672285
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-oxochromen-6-yl)-1H-quinoline-4-carboxamide
CID 55978558
ethyl 4-[(2-bromo-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26253160
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
6-morpholin-4-ylsulfonyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55877985
6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide
CID 55484934
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55671311
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide (CID 118695361) is 2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Br)cc12.
What is the InChIKey of 2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is IWHCASLLFYAISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O5S/c1-13-10-20(26)24-19-5-2-14(11-16(13)19)23-21(27)17-12-15(3-4-18(17)22)31(28,29)25-6-8-30-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide?
2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 506.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 118695361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).