2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one

C34H39N3O6Si — CID 23759554

About 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one

2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one (PubChem CID 23759554) has the molecular formula C34H39N3O6Si and a molecular weight of 613.79 g/mol. Its IUPAC name is 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one.

Molecular Properties

• Compound Name: 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one
• PubChem CID: 23759554
• Molecular Formula: C34H39N3O6Si
• Molecular Weight: 613.79 g/mol
• Exact Mass: 613.26
• IUPAC Name: 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one
• SMILES: CO[C@@H]1c2cc(-n3ncc4ccccc4c3=O)ccc2O[C@H](C(CC(=O)N2Cc3ccccc3C[C@H]2CO)[Si](C)(C)O)[C@H]1C
• InChI: InChI=1S/C34H39N3O6Si/c1-21-32(42-2)28-16-25(37-34(40)27-12-8-7-10-23(27)18-35-37)13-14-29(28)43-33(21)30(44(3,4)41)17-31(39)36-19-24-11-6-5-9-22(24)15-26(36)20-38/h5-14,16,18,21,26,30,32-33,38,41H,15,17,19-20H2,1-4H3/t21-,26-,30?,32-,33-/m0/s1
• InChIKey: SHOQXDYMZWRXPC-RCDGVBGYSA-N
• XLogP: 4.37
• TPSA: 114.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.79
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one?

The IUPAC name of 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one (CID 23759554) is 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one.

What is the SMILES notation for 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one?

The canonical SMILES for 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one is CO[C@@H]1c2cc(-n3ncc4ccccc4c3=O)ccc2O[C@H](C(CC(=O)N2Cc3ccccc3C[C@H]2CO)[Si](C)(C)O)[C@H]1C.

What is the InChIKey of 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one?

The InChIKey is SHOQXDYMZWRXPC-RCDGVBGYSA-N. The full InChI is InChI=1S/C34H39N3O6Si/c1-21-32(42-2)28-16-25(37-34(40)27-12-8-7-10-23(27)18-35-37)13-14-29(28)43-33(21)30(44(3,4)41)17-31(39)36-19-24-11-6-5-9-22(24)15-26(36)20-38/h5-14,16,18,21,26,30,32-33,38,41H,15,17,19-20H2,1-4H3/t21-,26-,30?,32-,33-/m0/s1.

What are the key properties of 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one?

2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one has a molecular weight of 613.79 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S,3S,4S)-2-[1-[hydroxy(dimethyl)silyl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]phthalazin-1-one is sourced from PubChem (CID 23759554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).