4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine

C22H26ClN5O4S — CID 58229462

IUPAC4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine
SMILESCOCCN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C22H26ClN5O4S/c1-27(7-10-31-2)33(29,30)26-20-14-17(15-25-22(20)23)16-3-4-19-18(13-16)21(5-6-24-19)28-8-11-32-12-9-28/h3-6,13-15,26H,7-12H2,1-2H3
InChIKeyPQOMMGBYVVJPOS-UHFFFAOYSA-N
MW492.00 g/mol
LogP3.02
Rot. Bonds8

About 4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine

4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine (PubChem CID 58229462) has the molecular formula C22H26ClN5O4S and a molecular weight of 492.00 g/mol. Its IUPAC name is 4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine
PubChem CID58229462
Molecular FormulaC22H26ClN5O4S
Molecular Weight492.00 g/mol
Exact Mass491.14
IUPAC Name4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine
SMILESCOCCN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl
InChIInChI=1S/C22H26ClN5O4S/c1-27(7-10-31-2)33(29,30)26-20-14-17(15-25-22(20)23)16-3-4-19-18(13-16)21(5-6-24-19)28-8-11-32-12-9-28/h3-6,13-15,26H,7-12H2,1-2H3
InChIKeyPQOMMGBYVVJPOS-UHFFFAOYSA-N
XLogP3.02
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 53.02
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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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-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 74539109
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
Quinoline, 4-(4-morpholinyl)-2-(2-pyridinyl)-
CID 453059
N-[2-chloro-5-[4-(dimethylamino)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608758
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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine?
The IUPAC name of 4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine (CID 58229462) is 4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine?
The canonical SMILES for 4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine is COCCN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.
What is the InChIKey of 4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine?
The InChIKey is PQOMMGBYVVJPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O4S/c1-27(7-10-31-2)33(29,30)26-20-14-17(15-25-22(20)23)16-3-4-19-18(13-16)21(5-6-24-19)28-8-11-32-12-9-28/h3-6,13-15,26H,7-12H2,1-2H3.
What are the key properties of 4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine?
4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine has a molecular weight of 492.00 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine is sourced from PubChem (CID 58229462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).