(E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide

C24H25N3O5S — CID 24624057

IUPAC(E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H25N3O5S/c1-2-32-21-10-9-20(17-22(21)33(29,30)27-13-15-31-16-14-27)26-23(28)11-8-19-6-3-5-18-7-4-12-25-24(18)19/h3-12,17H,2,13-16H2,1H3,(H,26,28)/b11-8+
InChIKeyXJPHZCHVLRZLHA-DHZHZOJOSA-N
MW467.55 g/mol
LogP3.31
Rot. Bonds7

About (E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide

(E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide (PubChem CID 24624057) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is (E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
PubChem CID24624057
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name(E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H25N3O5S/c1-2-32-21-10-9-20(17-22(21)33(29,30)27-13-15-31-16-14-27)26-23(28)11-8-19-6-3-5-18-7-4-12-25-24(18)19/h3-12,17H,2,13-16H2,1H3,(H,26,28)/b11-8+
InChIKeyXJPHZCHVLRZLHA-DHZHZOJOSA-N
XLogP3.31
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 24627113
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-quinolin-8-ylacetamide
CID 24666445
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
CID 18152924
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
3-(2,5-dimethoxyphenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3403224
(E)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1,3-thiazol-2-yl)prop-2-enamide
CID 55819738
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-2-methyl-2-phenylpropanamide
CID 46532531
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9050102
(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
CID 119693241
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzo[f]quinoline-5-carboxamide
CID 55699628
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55645447
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide (CID 24624057) is (E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide?
The InChIKey is XJPHZCHVLRZLHA-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-2-32-21-10-9-20(17-22(21)33(29,30)27-13-15-31-16-14-27)26-23(28)11-8-19-6-3-5-18-7-4-12-25-24(18)19/h3-12,17H,2,13-16H2,1H3,(H,26,28)/b11-8+.
What are the key properties of (E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide?
(E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide has a molecular weight of 467.55 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 24624057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).