(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol

C32H32N2O2 — CID 124581629

About (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol

(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol (PubChem CID 124581629) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol.

Molecular Properties

• Compound Name: (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
• PubChem CID: 124581629
• Molecular Formula: C32H32N2O2
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.25
• IUPAC Name: (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
• SMILES: COc1nc2ccccc2cc1[C@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12
• InChI: InChI=1S/C32H32N2O2/c1-34(2)21-20-32(35,28-18-11-16-23-12-7-9-17-26(23)28)30(24-13-5-4-6-14-24)27-22-25-15-8-10-19-29(25)33-31(27)36-3/h4-19,22,30,35H,20-21H2,1-3H3/t30-,32+/m0/s1
• InChIKey: NKAVROHGKCODSQ-XDFJSJKPSA-N
• XLogP: 6.37
• TPSA: 45.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?

The IUPAC name of (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol (CID 124581629) is (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol.

What is the SMILES notation for (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?

The canonical SMILES for (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol is COc1nc2ccccc2cc1[C@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12.

What is the InChIKey of (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?

The InChIKey is NKAVROHGKCODSQ-XDFJSJKPSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-34(2)21-20-32(35,28-18-11-16-23-12-7-9-17-26(23)28)30(24-13-5-4-6-14-24)27-22-25-15-8-10-19-29(25)33-31(27)36-3/h4-19,22,30,35H,20-21H2,1-3H3/t30-,32+/m0/s1.

What are the key properties of (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol?

(1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol has a molecular weight of 476.62 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol is sourced from PubChem (CID 124581629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).