(1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

C23H28N2O6 — CID 143447330

About (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

(1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate (PubChem CID 143447330) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate.

Molecular Properties

• Compound Name: (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
• PubChem CID: 143447330
• Molecular Formula: C23H28N2O6
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.19
• IUPAC Name: (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
• SMILES: COC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3nc(C)ccc3OC)ccc2C1
• InChI: InChI=1S/C23H28N2O6/c1-15-6-9-20(28-4)19(24-15)14-30-18-8-7-17-13-25(11-10-16(17)12-18)22(27)31-23(2,3)21(26)29-5/h6-9,12H,10-11,13-14H2,1-5H3
• InChIKey: NZSGFGPEVPVOSL-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 87.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate?

The IUPAC name of (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate (CID 143447330) is (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate.

What is the SMILES notation for (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate?

The canonical SMILES for (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate is COC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3nc(C)ccc3OC)ccc2C1.

What is the InChIKey of (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate?

The InChIKey is NZSGFGPEVPVOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-15-6-9-20(28-4)19(24-15)14-30-18-8-7-17-13-25(11-10-16(17)12-18)22(27)31-23(2,3)21(26)29-5/h6-9,12H,10-11,13-14H2,1-5H3.

What are the key properties of (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate?

(1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methoxy-2-methyl-1-oxopropan-2-yl) 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate is sourced from PubChem (CID 143447330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).