6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide

C25H28N4O5S — CID 55329648

IUPAC6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C25H28N4O5S/c30-24-17-20(25(31)27-22-6-2-3-7-23(22)28-10-4-1-5-11-28)19-16-18(8-9-21(19)26-24)35(32,33)29-12-14-34-15-13-29/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,26,30)(H,27,31)
InChIKeyCDFXKLRQSXSHRT-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.79
Rot. Bonds5

About 6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide

6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide (PubChem CID 55329648) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
PubChem CID55329648
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C25H28N4O5S/c30-24-17-20(25(31)27-22-6-2-3-7-23(22)28-10-4-1-5-11-28)19-16-18(8-9-21(19)26-24)35(32,33)29-12-14-34-15-13-29/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,26,30)(H,27,31)
InChIKeyCDFXKLRQSXSHRT-UHFFFAOYSA-N
XLogP2.79
TPSA111.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4869878
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
6-morpholin-4-ylsulfonyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55877985
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55340988
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513
6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide
CID 55803029
6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide
CID 55484934
5-morpholin-4-ylsulfonyl-N-naphthalen-1-yl-2-piperidin-1-ylbenzamide
CID 26087225
2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26520197

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide?
The IUPAC name of 6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide (CID 55329648) is 6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide is O=C(Nc1ccccc1N1CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of 6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide?
The InChIKey is CDFXKLRQSXSHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c30-24-17-20(25(31)27-22-6-2-3-7-23(22)28-10-4-1-5-11-28)19-16-18(8-9-21(19)26-24)35(32,33)29-12-14-34-15-13-29/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,26,30)(H,27,31).
What are the key properties of 6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide?
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55329648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).