1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one

C25H32N4O4 — CID 159789168

About 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one

1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one (PubChem CID 159789168) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one
• PubChem CID: 159789168
• Molecular Formula: C25H32N4O4
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.24
• IUPAC Name: 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one
• SMILES: COc1ccc([C@H](CC(C)=O)N2CCN(CC[C@@H](O)c3ccc4c(n3)CCCC4)C2=O)cn1
• InChI: InChI=1S/C25H32N4O4/c1-17(30)15-22(19-8-10-24(33-2)26-16-19)29-14-13-28(25(29)32)12-11-23(31)21-9-7-18-5-3-4-6-20(18)27-21/h7-10,16,22-23,31H,3-6,11-15H2,1-2H3/t22-,23+/m0/s1
• InChIKey: JKQWSBWPWWBQAF-XZOQPEGZSA-N
• XLogP: 3.25
• TPSA: 95.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one?

The IUPAC name of 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one (CID 159789168) is 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one.

What is the SMILES notation for 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one?

The canonical SMILES for 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one is COc1ccc([C@H](CC(C)=O)N2CCN(CC[C@@H](O)c3ccc4c(n3)CCCC4)C2=O)cn1.

What is the InChIKey of 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one?

The InChIKey is JKQWSBWPWWBQAF-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-17(30)15-22(19-8-10-24(33-2)26-16-19)29-14-13-28(25(29)32)12-11-23(31)21-9-7-18-5-3-4-6-20(18)27-21/h7-10,16,22-23,31H,3-6,11-15H2,1-2H3/t22-,23+/m0/s1.

What are the key properties of 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one?

1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one has a molecular weight of 452.56 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-hydroxy-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]-3-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]imidazolidin-2-one is sourced from PubChem (CID 159789168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).