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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

CAS 1455091-10-7
1 2D Structure

CAS 1455091-10-7

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

BUILDING BLOCK

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