N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide

C28H32N4O5 — CID 130449007

About N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide

N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 130449007) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 130449007
• Molecular Formula: C28H32N4O5
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.24
• IUPAC Name: N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide
• SMILES: COc1cccc(-c2ccc(CNC(=O)C3CC3c3nc(C)no3)c3c2CCN(C(=O)C(C)(C)O)C3)c1
• InChI: InChI=1S/C28H32N4O5/c1-16-30-26(37-31-16)23-13-22(23)25(33)29-14-18-8-9-20(17-6-5-7-19(12-17)36-4)21-10-11-32(15-24(18)21)27(34)28(2,3)35/h5-9,12,22-23,35H,10-11,13-15H2,1-4H3,(H,29,33)
• InChIKey: XYSWYGKKTLASIY-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 117.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide (CID 130449007) is N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide is COc1cccc(-c2ccc(CNC(=O)C3CC3c3nc(C)no3)c3c2CCN(C(=O)C(C)(C)O)C3)c1.

What is the InChIKey of N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

The InChIKey is XYSWYGKKTLASIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-16-30-26(37-31-16)23-13-22(23)25(33)29-14-18-8-9-20(17-6-5-7-19(12-17)36-4)21-10-11-32(15-24(18)21)27(34)28(2,3)35/h5-9,12,22-23,35H,10-11,13-15H2,1-4H3,(H,29,33).

What are the key properties of N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?

N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(2-hydroxy-2-methylpropanoyl)-5-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-8-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 130449007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).