3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide

C16H21N3O3S — CID 3830487

IUPAC3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide
SMILESO=S(=O)(CCCN1CCOCC1)Nc1cccc2cccnc12
InChIInChI=1S/C16H21N3O3S/c20-23(21,13-3-8-19-9-11-22-12-10-19)18-15-6-1-4-14-5-2-7-17-16(14)15/h1-2,4-7,18H,3,8-13H2
InChIKeyXNRNSVVJGICTQK-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.70
Rot. Bonds6

About 3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide

3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide (PubChem CID 3830487) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide
PubChem CID3830487
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide
SMILESO=S(=O)(CCCN1CCOCC1)Nc1cccc2cccnc12
InChIInChI=1S/C16H21N3O3S/c20-23(21,13-3-8-19-9-11-22-12-10-19)18-15-6-1-4-14-5-2-7-17-16(14)15/h1-2,4-7,18H,3,8-13H2
InChIKeyXNRNSVVJGICTQK-UHFFFAOYSA-N
XLogP1.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide
CID 118724844
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112857696
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144827
3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 109063891
N-(3-morpholin-4-ylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949073
N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propane-1-sulfonamide
CID 118724852
5-N-(3-morpholin-4-ylpropyl)quinoline-5,8-diamine
CID 43449552
6-methyl-2-(2-morpholin-4-ylethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109325286
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(quinolin-8-ylsulfonylamino)benzamide
CID 42751769
4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123616
4-hydroxy-N-quinolin-8-ylpiperidine-1-sulfonamide
CID 167892324

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide?
The IUPAC name of 3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide (CID 3830487) is 3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide?
The canonical SMILES for 3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide is O=S(=O)(CCCN1CCOCC1)Nc1cccc2cccnc12.
What is the InChIKey of 3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide?
The InChIKey is XNRNSVVJGICTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c20-23(21,13-3-8-19-9-11-22-12-10-19)18-15-6-1-4-14-5-2-7-17-16(14)15/h1-2,4-7,18H,3,8-13H2.
What are the key properties of 3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide?
3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide is sourced from PubChem (CID 3830487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).