(2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one

C46H36Cl4N4O4 — CID 162015088

IUPAC(2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one
SMILESCN1C(=O)/C(=C/c2cccnc2)O[C@@H](c2ccc(Cl)cc2)C1c1ccc(Cl)cc1.CN1C(=O)/C(=C/c2cccnc2)O[C@H](c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/2C23H18Cl2N2O2/c2*1-27-21(16-4-8-18(24)9-5-16)22(17-6-10-19(25)11-7-17)29-20(23(27)28)13-15-3-2-12-26-14-15/h2*2-14,21-22H,1H3/b2*20-13-/t2*21?,22-/m10/s1
InChIKeyYTZOQDVAZJBGLU-HFAXREKHSA-N
MW850.63 g/mol
LogP11.40
Rot. Bonds6

About (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one

(2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one (PubChem CID 162015088) has the molecular formula C46H36Cl4N4O4 and a molecular weight of 850.63 g/mol. Its IUPAC name is (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one.

Molecular Properties

Compound Name(2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one
PubChem CID162015088
Molecular FormulaC46H36Cl4N4O4
Molecular Weight850.63 g/mol
Exact Mass848.15
IUPAC Name(2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one
SMILESCN1C(=O)/C(=C/c2cccnc2)O[C@@H](c2ccc(Cl)cc2)C1c1ccc(Cl)cc1.CN1C(=O)/C(=C/c2cccnc2)O[C@H](c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/2C23H18Cl2N2O2/c2*1-27-21(16-4-8-18(24)9-5-16)22(17-6-10-19(25)11-7-17)29-20(23(27)28)13-15-3-2-12-26-14-15/h2*2-14,21-22H,1H3/b2*20-13-/t2*21?,22-/m10/s1
InChIKeyYTZOQDVAZJBGLU-HFAXREKHSA-N
XLogP11.40
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.63
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one?
The IUPAC name of (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one (CID 162015088) is (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one.
What is the SMILES notation for (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one?
The canonical SMILES for (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one is CN1C(=O)/C(=C/c2cccnc2)O[C@@H](c2ccc(Cl)cc2)C1c1ccc(Cl)cc1.CN1C(=O)/C(=C/c2cccnc2)O[C@H](c2ccc(Cl)cc2)C1c1ccc(Cl)cc1.
What is the InChIKey of (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one?
The InChIKey is YTZOQDVAZJBGLU-HFAXREKHSA-N. The full InChI is InChI=1S/2C23H18Cl2N2O2/c2*1-27-21(16-4-8-18(24)9-5-16)22(17-6-10-19(25)11-7-17)29-20(23(27)28)13-15-3-2-12-26-14-15/h2*2-14,21-22H,1H3/b2*20-13-/t2*21?,22-/m10/s1.
What are the key properties of (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one?
(2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one has a molecular weight of 850.63 g/mol, XLogP of 11.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6R)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one;(2Z,6S)-5,6-bis(4-chlorophenyl)-4-methyl-2-(pyridin-3-ylmethylidene)morpholin-3-one is sourced from PubChem (CID 162015088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).