(2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C23H23ClN2O5S — CID 29352401

IUPAC(2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C23H23ClN2O5S/c24-23-19(15-18-3-1-2-4-21(18)25-23)16-31-22(27)10-7-17-5-8-20(9-6-17)32(28,29)26-11-13-30-14-12-26/h1-6,8-9,15H,7,10-14,16H2
InChIKeyCTYFGWBLEWHZSU-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.59
Rot. Bonds7

About (2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

(2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 29352401) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID29352401
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name(2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1cc2ccccc2nc1Cl
InChIInChI=1S/C23H23ClN2O5S/c24-23-19(15-18-3-1-2-4-21(18)25-23)16-31-22(27)10-7-17-5-8-20(9-6-17)32(28,29)26-11-13-30-14-12-26/h1-6,8-9,15H,7,10-14,16H2
InChIKeyCTYFGWBLEWHZSU-UHFFFAOYSA-N
XLogP3.59
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 8761548
(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
CID 31647896
(2-chloroquinolin-3-yl)methyl 3-morpholin-4-ylsulfonylthiophene-2-carboxylate
CID 25386928
(4-methylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824832
(3-chloro-1-benzothiophen-2-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 24529793
2-oxopropyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 55316342
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824841
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 16580313
3-(4-morpholin-4-ylsulfonylphenyl)-N-phenyl-N-(2-phenylethyl)propanamide
CID 47081612
methyl 3-[benzyl-[3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]propanoate
CID 55513242
(2-bromo-4-chlorophenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 26664818
(2-methoxyphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 8789866

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of (2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 29352401) is (2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for (2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for (2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1cc2ccccc2nc1Cl.
What is the InChIKey of (2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is CTYFGWBLEWHZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c24-23-19(15-18-3-1-2-4-21(18)25-23)16-31-22(27)10-7-17-5-8-20(9-6-17)32(28,29)26-11-13-30-14-12-26/h1-6,8-9,15H,7,10-14,16H2.
What are the key properties of (2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
(2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 474.97 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 29352401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).