N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide

C22H23N3O4S — CID 20950530

IUPACN-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide
SMILESO=C(C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)N1CCOCC1
InChIInChI=1S/C22H23N3O4S/c26-22(25-12-14-29-15-13-25)19(16-17-6-2-1-3-7-17)24-30(27,28)20-10-4-8-18-9-5-11-23-21(18)20/h1-11,19,24H,12-16H2
InChIKeyJMTKHMHVSYWLFC-UHFFFAOYSA-N
MW425.51 g/mol
LogP1.98
Rot. Bonds6

About N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide

N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide (PubChem CID 20950530) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide
PubChem CID20950530
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide
SMILESO=C(C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)N1CCOCC1
InChIInChI=1S/C22H23N3O4S/c26-22(25-12-14-29-15-13-25)19(16-17-6-2-1-3-7-17)24-30(27,28)20-10-4-8-18-9-5-11-23-21(18)20/h1-11,19,24H,12-16H2
InChIKeyJMTKHMHVSYWLFC-UHFFFAOYSA-N
XLogP1.98
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide (CID 20950530) is N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide is O=C(C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide?
The InChIKey is JMTKHMHVSYWLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c26-22(25-12-14-29-15-13-25)19(16-17-6-2-1-3-7-17)24-30(27,28)20-10-4-8-18-9-5-11-23-21(18)20/h1-11,19,24H,12-16H2.
What are the key properties of N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide?
N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide has a molecular weight of 425.51 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 20950530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).