[4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone

C23H20N4O2 — CID 174244138

About [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone

[4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 174244138) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone
• PubChem CID: 174244138
• Molecular Formula: C23H20N4O2
• Molecular Weight: 384.44 g/mol
• Exact Mass: 384.16
• IUPAC Name: [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone
• SMILES: Cn1ccc(C2CN(C(=O)c3cc(-c4ccccn4)on3)Cc3ccccc32)c1
• InChI: InChI=1S/C23H20N4O2/c1-26-11-9-17(13-26)19-15-27(14-16-6-2-3-7-18(16)19)23(28)21-12-22(29-25-21)20-8-4-5-10-24-20/h2-13,19H,14-15H2,1H3
• InChIKey: ANUXDFSCUYQYAW-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.44
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone?

The IUPAC name of [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone (CID 174244138) is [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone is Cn1ccc(C2CN(C(=O)c3cc(-c4ccccn4)on3)Cc3ccccc32)c1.

What is the InChIKey of [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone?

The InChIKey is ANUXDFSCUYQYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-26-11-9-17(13-26)19-15-27(14-16-6-2-3-7-18(16)19)23(28)21-12-22(29-25-21)20-8-4-5-10-24-20/h2-13,19H,14-15H2,1H3.

What are the key properties of [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone?

[4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 384.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1-methylpyrrol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 174244138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).