6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide

C23H26N6O5S — CID 55803029

IUPAC6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C23H26N6O5S/c30-21-14-19(22(31)26-16-3-1-8-28(15-16)23-24-6-2-7-25-23)18-13-17(4-5-20(18)27-21)35(32,33)29-9-11-34-12-10-29/h2,4-7,13-14,16H,1,3,8-12,15H2,(H,26,31)(H,27,30)
InChIKeyOWBMULVSVZHJRH-UHFFFAOYSA-N
MW498.57 g/mol
LogP0.74
Rot. Bonds5

About 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide

6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide (PubChem CID 55803029) has the molecular formula C23H26N6O5S and a molecular weight of 498.57 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide
PubChem CID55803029
Molecular FormulaC23H26N6O5S
Molecular Weight498.57 g/mol
Exact Mass498.17
IUPAC Name6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C23H26N6O5S/c30-21-14-19(22(31)26-16-3-1-8-28(15-16)23-24-6-2-7-25-23)18-13-17(4-5-20(18)27-21)35(32,33)29-9-11-34-12-10-29/h2,4-7,13-14,16H,1,3,8-12,15H2,(H,26,31)(H,27,30)
InChIKeyOWBMULVSVZHJRH-UHFFFAOYSA-N
XLogP0.74
TPSA137.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
6-morpholin-4-ylsulfonyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55877985
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513
1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55768855
6-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 20967793
6-morpholin-4-ylsulfonyl-2-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-1H-quinoline-4-carboxamide
CID 55484934
N-(2-methylsulfanylphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55329602
6-morpholin-4-ylsulfonyl-2-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 55335721
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55854355
N-[(2-ethoxyphenyl)methyl]-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 15994227

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide?
The IUPAC name of 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide (CID 55803029) is 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide is O=C(NC1CCCN(c2ncccn2)C1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide?
The InChIKey is OWBMULVSVZHJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O5S/c30-21-14-19(22(31)26-16-3-1-8-28(15-16)23-24-6-2-7-25-23)18-13-17(4-5-20(18)27-21)35(32,33)29-9-11-34-12-10-29/h2,4-7,13-14,16H,1,3,8-12,15H2,(H,26,31)(H,27,30).
What are the key properties of 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide?
6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide has a molecular weight of 498.57 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55803029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).