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'}

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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).