N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide

C22H24ClN5O4S — CID 58229500

IUPACN-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)N1CCOCC1
InChIInChI=1S/C22H24ClN5O4S/c23-22-20(26-33(29,30)28-7-11-32-12-8-28)14-17(15-25-22)16-1-2-19-18(13-16)21(3-4-24-19)27-5-9-31-10-6-27/h1-4,13-15,26H,5-12H2
InChIKeyIGJNWMLEKNAFBM-UHFFFAOYSA-N
MW489.99 g/mol
LogP2.78
Rot. Bonds5

About N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide

N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide (PubChem CID 58229500) has the molecular formula C22H24ClN5O4S and a molecular weight of 489.99 g/mol. Its IUPAC name is N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide
PubChem CID58229500
Molecular FormulaC22H24ClN5O4S
Molecular Weight489.99 g/mol
Exact Mass489.12
IUPAC NameN-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)N1CCOCC1
InChIInChI=1S/C22H24ClN5O4S/c23-22-20(26-33(29,30)28-7-11-32-12-8-28)14-17(15-25-22)16-1-2-19-18(13-16)21(3-4-24-19)27-5-9-31-10-6-27/h1-4,13-15,26H,5-12H2
InChIKeyIGJNWMLEKNAFBM-UHFFFAOYSA-N
XLogP2.78
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.99
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{2-Chloro-5-[4-(Morpholin-4-Yl)quinolin-6-Yl]pyridin-3-Yl}-4-Fluorobenzenesulfonamide
CID 44608915
N-[2-chloro-5-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608754
N-[2-chloro-5-[4-(4-hydroxypiperidin-1-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609391
N-[5-[4-(4-benzylpiperazin-1-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609547
N-[2-chloro-5-(4-morpholin-4-ylcinnolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 156767718
N-[2-chloro-5-[4-(4-morpholin-4-ylphenyl)cinnolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 164615071
N-(2-chloro-5-(4-(1-piperidinyl)-6-quinolinyl)-3-pyridinyl)-4-fluorobenzenesulfonamid
CID 44609543
N-[2-chloro-5-[4-(4-propan-2-ylpiperazin-1-yl)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609544
N-[2-chloro-5-[4-(2-methoxyethylamino)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53363439
N-[2-chloro-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 74538978
N-[2-chloro-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74538981
6-chloro-N-(4-morpholin-4-ylbutyl)-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162646097

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide (CID 58229500) is N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide is O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)N1CCOCC1.
What is the InChIKey of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide?
The InChIKey is IGJNWMLEKNAFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O4S/c23-22-20(26-33(29,30)28-7-11-32-12-8-28)14-17(15-25-22)16-1-2-19-18(13-16)21(3-4-24-19)27-5-9-31-10-6-27/h1-4,13-15,26H,5-12H2.
What are the key properties of N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide?
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide has a molecular weight of 489.99 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide is sourced from PubChem (CID 58229500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).