N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C15H21N3O4S — CID 8777856

IUPACN-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCCN3CCOCC3)ccc2N1
InChIInChI=1S/C15H21N3O4S/c19-15-4-1-12-11-13(2-3-14(12)17-15)23(20,21)16-5-6-18-7-9-22-10-8-18/h2-3,11,16H,1,4-10H2,(H,17,19)
InChIKeyCLSOTCLDHBQHAE-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.18
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 8777856) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID8777856
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)NCCN3CCOCC3)ccc2N1
InChIInChI=1S/C15H21N3O4S/c19-15-4-1-12-11-13(2-3-14(12)17-15)23(20,21)16-5-6-18-7-9-22-10-8-18/h2-3,11,16H,1,4-10H2,(H,17,19)
InChIKeyCLSOTCLDHBQHAE-UHFFFAOYSA-N
XLogP0.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 8777856) is N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NCCN3CCOCC3)ccc2N1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is CLSOTCLDHBQHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c19-15-4-1-12-11-13(2-3-14(12)17-15)23(20,21)16-5-6-18-7-9-22-10-8-18/h2-3,11,16H,1,4-10H2,(H,17,19).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 8777856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).