CAS 1267610-26-3

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one

2.1.2 InChI

InChI=1S/C15H19N3O2/c16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17/h2-6H,1,7-11,16H2

2.1.3 InChI Key

YUGIGSPFTMLIMA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1267610-26-3

2. 1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-2(1h)-pyridinone

3. 2(1h)-pyridinone, 1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-

4. Mfcd22581648

5. 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one

6. Schembl15731795

7. Amy36784

8. Bcp12344

9. Cs-m1882

10. Zinc100034679

11. As-20006

12. Sy061067

13. F11574

14. A889371

2.3 Create Date

2012-11-19

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₉N₃O₂
Molecular Weight	273.33 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	273.147726857 g/mol
Monoisotopic Mass	273.147726857 g/mol
Topological Polar Surface Area	58.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	383
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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