Baxdrostat

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Also known as: Baxdrostat [inn], Nf3p9z8j5y, (+)-(r)-n-(4-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide, 1428652-17-8, N-((8r)-5,6,7,8-tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)-8-isoquinolinyl)propanamide, Propanamide, n-((8r)-5,6,7,8-tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)-8-isoquinolinyl)-

Molecular Formula

C₂₂H₂₅N₃O₂

Molecular Weight

363.5 g/mol

InChI Key

VDEUDSRUMNAXJG-LJQANCHMSA-N

FDA UNII

NF3P9Z8J5Y

1 2D Structure

Baxdrostat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide

2.1.2 InChI

InChI=1S/C22H25N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h7,9,11-13,19H,3-6,8,10H2,1-2H3,(H,24,26)/t19-/m1/s1

2.1.3 InChI Key

VDEUDSRUMNAXJG-LJQANCHMSA-N

2.1.4 Canonical SMILES

CCC(=O)NC1CCCC2=C1C=NC=C2C3=CC4=C(C=C3)N(C(=O)CC4)C

2.1.5 Isomeric SMILES

CCC(=O)N[C@@H]1CCCC2=C1C=NC=C2C3=CC4=C(C=C3)N(C(=O)CC4)C

2.2 Other Identifiers

2.2.1 UNII

NF3P9Z8J5Y

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Baxdrostat [inn]

2. Nf3p9z8j5y

3. (+)-(r)-n-(4-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide

4. 1428652-17-8

5. N-((8r)-5,6,7,8-tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)-8-isoquinolinyl)propanamide

6. Propanamide, N-((8r)-5,6,7,8-tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)-8-isoquinolinyl)-

7. Unii-nf3p9z8j5y

8. Chembl4113975

9. Schembl14799753

10. Bdbm233806

11. Hy-132809

12. Cs-0204056

13. Us9353081, 3-1

2.4 Create Date

2013-06-11

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₅N₃O₂
Molecular Weight	363.5 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	363.19467705 g/mol
Monoisotopic Mass	363.19467705 g/mol
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	566
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1