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
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
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
3 Chemical and Physical Properties
| Molecular Weight |
363.5 g/mol |
| Molecular Formula |
C22H25N3O2
|
| 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 Ų |
|---|
| 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 |
|---|
