2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide

C35H42N4O5 — CID 146350899

About 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide

2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide (PubChem CID 146350899) has the molecular formula C35H42N4O5 and a molecular weight of 598.74 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide
• PubChem CID: 146350899
• Molecular Formula: C35H42N4O5
• Molecular Weight: 598.74 g/mol
• Exact Mass: 598.32
• IUPAC Name: 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide
• SMILES: COCC1C(C(=O)N=O)CCN1c1cccc(-c2cccc(C)c2OCc2ccc3c(c2C)CCN(C2CCOCC2)C3)n1
• InChI: InChI=1S/C35H42N4O5/c1-23-6-4-7-29(31-8-5-9-33(36-31)39-17-13-30(35(40)37-41)32(39)22-42-3)34(23)44-21-26-11-10-25-20-38(16-12-28(25)24(26)2)27-14-18-43-19-15-27/h4-11,27,30,32H,12-22H2,1-3H3
• InChIKey: RCKBMTPSBJSAIW-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 93.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.74
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide?

The IUPAC name of 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide (CID 146350899) is 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide is COCC1C(C(=O)N=O)CCN1c1cccc(-c2cccc(C)c2OCc2ccc3c(c2C)CCN(C2CCOCC2)C3)n1.

What is the InChIKey of 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide?

The InChIKey is RCKBMTPSBJSAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N4O5/c1-23-6-4-7-29(31-8-5-9-33(36-31)39-17-13-30(35(40)37-41)32(39)22-42-3)34(23)44-21-26-11-10-25-20-38(16-12-28(25)24(26)2)27-14-18-43-19-15-27/h4-11,27,30,32H,12-22H2,1-3H3.

What are the key properties of 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide?

2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide has a molecular weight of 598.74 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methoxymethyl)-1-[6-[3-methyl-2-[[5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-N-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 146350899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).