(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate

C23H24N2O5S — CID 31647896

IUPAC(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
SMILESO=C(CCc1ccc2ccccc2n1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H24N2O5S/c26-23(11-10-20-9-8-19-5-1-2-7-22(19)24-20)30-17-18-4-3-6-21(16-18)31(27,28)25-12-14-29-15-13-25/h1-9,16H,10-15,17H2
InChIKeyLXBPRPLNNVBTJP-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.93
Rot. Bonds7

About (3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate

(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate (PubChem CID 31647896) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
PubChem CID31647896
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
SMILESO=C(CCc1ccc2ccccc2n1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H24N2O5S/c26-23(11-10-20-9-8-19-5-1-2-7-22(19)24-20)30-17-18-4-3-6-21(16-18)31(27,28)25-12-14-29-15-13-25/h1-9,16H,10-15,17H2
InChIKeyLXBPRPLNNVBTJP-UHFFFAOYSA-N
XLogP2.93
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 43026610
(3-morpholin-4-ylsulfonylphenyl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 43015680
(3-morpholin-4-ylsulfonylphenyl)methyl 3-thiophen-2-ylpropanoate
CID 8533259
(3-morpholin-4-ylsulfonylphenyl)methyl 3-phenylsulfanylpropanoate
CID 8853648
(3-morpholin-4-ylsulfonylphenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 42982189
(2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 29352401
(3-morpholin-4-ylsulfonylphenyl)methyl 2-(4-chlorophenyl)acetate
CID 7750422
(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate
CID 47012023
(3-morpholin-4-ylsulfonylphenyl)methyl 1-benzothiophene-2-carboxylate
CID 7887439
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885940
(3-morpholin-4-ylsulfonylphenyl)methyl 2-[(2-methylbenzoyl)amino]acetate
CID 22830492

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate?
The IUPAC name of (3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate (CID 31647896) is (3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate.
What is the SMILES notation for (3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate?
The canonical SMILES for (3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate is O=C(CCc1ccc2ccccc2n1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate?
The InChIKey is LXBPRPLNNVBTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c26-23(11-10-20-9-8-19-5-1-2-7-22(19)24-20)30-17-18-4-3-6-21(16-18)31(27,28)25-12-14-29-15-13-25/h1-9,16H,10-15,17H2.
What are the key properties of (3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate?
(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate has a molecular weight of 440.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 31647896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).