(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide

C23H23N3O5S — CID 24627113

IUPAC(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C23H23N3O5S/c1-30-21-9-8-19(32(28,29)26-12-14-31-15-13-26)16-20(21)25-22(27)10-7-18-5-2-4-17-6-3-11-24-23(17)18/h2-11,16H,12-15H2,1H3,(H,25,27)/b10-7+
InChIKeyRPPFUJINMZMMOV-JXMROGBWSA-N
MW453.52 g/mol
LogP2.92
Rot. Bonds6

About (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide

(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide (PubChem CID 24627113) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
PubChem CID24627113
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C23H23N3O5S/c1-30-21-9-8-19(32(28,29)26-12-14-31-15-13-26)16-20(21)25-22(27)10-7-18-5-2-4-17-6-3-11-24-23(17)18/h2-11,16H,12-15H2,1H3,(H,25,27)/b10-7+
InChIKeyRPPFUJINMZMMOV-JXMROGBWSA-N
XLogP2.92
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.92
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-phenylprop-2-enamide
CID 7733249
1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-quinolin-8-ylprop-2-en-1-one
CID 55510949
(E)-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 24624057
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-naphthalen-1-ylprop-2-enamide
CID 41483751
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 26848715
(E)-3-(3,4-dimethoxyphenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6089454
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 38932274
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6215014
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3974867
(E)-3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55342789

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide (CID 24627113) is (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1cccc2cccnc12.
What is the InChIKey of (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide?
The InChIKey is RPPFUJINMZMMOV-JXMROGBWSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-30-21-9-8-19(32(28,29)26-12-14-31-15-13-26)16-20(21)25-22(27)10-7-18-5-2-4-17-6-3-11-24-23(17)18/h2-11,16H,12-15H2,1H3,(H,25,27)/b10-7+.
What are the key properties of (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide?
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide has a molecular weight of 453.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 24627113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).