(5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one

C23H26Cl2N2O3 — CID 90371867

IUPAC(5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one
SMILESCN1C(=O)C(CCN2CCOCC2)O[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2N2O3/c1-26-21(16-2-6-18(24)7-3-16)22(17-4-8-19(25)9-5-17)30-20(23(26)28)10-11-27-12-14-29-15-13-27/h2-9,20-22H,10-15H2,1H3/t20?,21-,22+/m0/s1
InChIKeyISEMFQGMTRGCLK-JTGIGXABSA-N
MW449.38 g/mol
LogP4.36
Rot. Bonds5

About (5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one

(5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one (PubChem CID 90371867) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is (5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one.

Molecular Properties

Compound Name(5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one
PubChem CID90371867
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC Name(5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one
SMILESCN1C(=O)C(CCN2CCOCC2)O[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C23H26Cl2N2O3/c1-26-21(16-2-6-18(24)7-3-16)22(17-4-8-19(25)9-5-17)30-20(23(26)28)10-11-27-12-14-29-15-13-27/h2-9,20-22H,10-15H2,1H3/t20?,21-,22+/m0/s1
InChIKeyISEMFQGMTRGCLK-JTGIGXABSA-N
XLogP4.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-prop-2-enylmorpholin-3-one
CID 118622892
4-[[(2R,5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzamide
CID 90357357
methyl 4-[[(2S,5R,6S)-5,6-bis(4-chlorophenyl)-4-methyl-3-oxomorpholin-2-yl]methyl]benzoate
CID 90357542
(2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(3-morpholin-4-ylpropyl)-5-oxomorpholin-4-yl]pentanoic acid;ethyl (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-5-oxo-6-(3-oxopropyl)morpholin-4-yl]pentanoate;ethyl (2R)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-5-oxo-6-prop-2-enylmorpholin-4-yl]pentanoate;methane
CID 159129438
N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 90357512
5,6-bis(4-chlorophenyl)-2-[hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
CID 123700423
(2S,5R,6S)-5,6-bis(4-chlorophenyl)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-4-methylmorpholin-3-one
CID 118622941
(2S,5R,6S)-4-butyl-5,6-bis(4-chlorophenyl)-2-[(4-iodophenyl)methyl]morpholin-3-one
CID 118631961
(3R,4R)-3-amino-4-(4-chlorophenyl)-1-methylazetidin-2-one
CID 95733150
9-(4-chlorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 3240720
(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
CID 95739584
(2S)-2-[(2S,3R,6S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-6-(2-morpholin-4-yl-2-oxoethyl)-5-oxomorpholin-4-yl]pentanoic acid
CID 90357858

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one?
The IUPAC name of (5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one (CID 90371867) is (5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one.
What is the SMILES notation for (5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one?
The canonical SMILES for (5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one is CN1C(=O)C(CCN2CCOCC2)O[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one?
The InChIKey is ISEMFQGMTRGCLK-JTGIGXABSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c1-26-21(16-2-6-18(24)7-3-16)22(17-4-8-19(25)9-5-17)30-20(23(26)28)10-11-27-12-14-29-15-13-27/h2-9,20-22H,10-15H2,1H3/t20?,21-,22+/m0/s1.
What are the key properties of (5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one?
(5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one has a molecular weight of 449.38 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)morpholin-3-one is sourced from PubChem (CID 90371867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).