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2D Structure
Also known as: 1455091-10-7, 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylic acid methyl ester, Mfcd29075436, 3-isoquinolinecarboxylic acid, 4-hydroxy-7-phenoxy-, methyl ester, Fg4592intermediates, Roxadustat impurity 4
Molecular Formula
C17H13NO4
Molecular Weight
295.29  g/mol
InChI Key
YTWDBRIDKWWANA-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate
2.1.2 InChI
InChI=1S/C17H13NO4/c1-21-17(20)15-16(19)14-8-7-13(9-11(14)10-18-15)22-12-5-3-2-4-6-12/h2-10,19H,1H3
2.1.3 InChI Key
YTWDBRIDKWWANA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=NC=C2C=C(C=CC2=C1O)OC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1455091-10-7

2. 4-hydroxy-7-phenoxy-3-isoquinolinecarboxylic Acid Methyl Ester

3. Mfcd29075436

4. 3-isoquinolinecarboxylic Acid, 4-hydroxy-7-phenoxy-, Methyl Ester

5. Fg4592intermediates

6. Roxadustat Impurity 4

7. Schembl15268823

8. Amy16517

9. Bcp11211

10. Zinc146746245

11. Sb18195

12. Ac-29972

13. Ds-19187

14. Sy116728

15. Db-109398

16. Cs-0054527

17. A857091

18. Methyl4-hydroxy-7-phenoxyisoquinoline-3-carboxylate

19. 4-hydroxy-7-phenoxy-isoquinoline-3-carboxylic Acid Methyl Ester

20. 4-hydroxy-7-phenoxyisoquinoline-3-carboxylic Acid Methyl Ester

21. Methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate;fg-4592 Intermediate

2.3 Create Date
2015-02-02
3 Chemical and Physical Properties
Molecular Weight 295.29 g/mol
Molecular Formula C17H13NO4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass295.08445790 g/mol
Monoisotopic Mass295.08445790 g/mol
Topological Polar Surface Area68.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1