ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C23H26N4O5 — CID 51724575

About ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 51724575) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 51724575
• Molecular Formula: C23H26N4O5
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.19
• IUPAC Name: ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(CN2Cc3ccccc3C[C@@H]2C(=O)NC)NC(=O)N[C@H]1c1ccco1
• InChI: InChI=1S/C23H26N4O5/c1-3-31-22(29)19-16(25-23(30)26-20(19)18-9-6-10-32-18)13-27-12-15-8-5-4-7-14(15)11-17(27)21(28)24-2/h4-10,17,20H,3,11-13H2,1-2H3,(H,24,28)(H2,25,26,30)/t17-,20+/m1/s1
• InChIKey: LDAZPUDDUJMEIJ-XLIONFOSSA-N
• XLogP: 1.62
• TPSA: 112.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 51724575) is ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN2Cc3ccccc3C[C@@H]2C(=O)NC)NC(=O)N[C@H]1c1ccco1.

What is the InChIKey of ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is LDAZPUDDUJMEIJ-XLIONFOSSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-3-31-22(29)19-16(25-23(30)26-20(19)18-9-6-10-32-18)13-27-12-15-8-5-4-7-14(15)11-17(27)21(28)24-2/h4-10,17,20H,3,11-13H2,1-2H3,(H,24,28)(H2,25,26,30)/t17-,20+/m1/s1.

What are the key properties of ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 438.48 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4R)-4-(furan-2-yl)-6-[[(3R)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 51724575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).