N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide

C25H28N4O5S — CID 4869878

IUPACN-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C25H28N4O5S/c30-24-17-20(19-6-2-3-7-21(19)26-24)25(31)27-22-16-18(35(32,33)29-10-4-1-5-11-29)8-9-23(22)28-12-14-34-15-13-28/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,26,30)(H,27,31)
InChIKeyPFZZEZYHQFACKR-UHFFFAOYSA-N
MW496.59 g/mol
LogP2.79
Rot. Bonds5

About N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide

N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 4869878) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID4869878
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC NameN-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C25H28N4O5S/c30-24-17-20(19-6-2-3-7-21(19)26-24)25(31)27-22-16-18(35(32,33)29-10-4-1-5-11-29)8-9-23(22)28-12-14-34-15-13-28/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,26,30)(H,27,31)
InChIKeyPFZZEZYHQFACKR-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

6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55329582
N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55363784
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
6-morpholin-4-ylsulfonyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55877985
5-morpholin-4-ylsulfonyl-N-naphthalen-1-yl-2-piperidin-1-ylbenzamide
CID 26087225
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3951129
2,5-dimethyl-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)thiophene-3-carboxamide
CID 31010638
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2640923
2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4857247

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide (CID 4869878) is N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is PFZZEZYHQFACKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c30-24-17-20(19-6-2-3-7-21(19)26-24)25(31)27-22-16-18(35(32,33)29-10-4-1-5-11-29)8-9-23(22)28-12-14-34-15-13-28/h2-3,6-9,16-17H,1,4-5,10-15H2,(H,26,30)(H,27,31).
What are the key properties of N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-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 N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 4869878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).