6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione

C154H188N28O24 — CID 158004073

About 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione

6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione (PubChem CID 158004073) has the molecular formula C154H188N28O24 and a molecular weight of 2815.37 g/mol. Its IUPAC name is 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione.

Molecular Properties

• Compound Name: 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione
• PubChem CID: 158004073
• Molecular Formula: C154H188N28O24
• Molecular Weight: 2815.37 g/mol
• Exact Mass: 2813.44
• IUPAC Name: 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione
• SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4[nH]ccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4ccccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4cnccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4ncccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cncc4ccccc34)nc21.Cc1ccccc1OCc1nc2c(nc1CCCCCO)c(=O)n(C)c(=O)n2CC(C)C
• InChI: InChI=1S/C27H32N4O4.3C26H31N5O4.C25H31N5O4.C24H32N4O4/c1-18(2)16-31-25-24(26(33)30(3)27(31)34)28-21(13-5-4-8-15-32)22(29-25)17-35-23-14-9-11-19-10-6-7-12-20(19)23;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(11-5-4-8-12-32)21(29-24)16-35-22-14-27-13-18-9-6-7-10-19(18)22;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(10-5-4-6-14-32)21(29-24)16-35-22-12-7-11-19-18(22)9-8-13-27-19;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)21(29-24)16-35-22-10-7-8-18-14-27-12-11-19(18)22;1-16(2)14-30-23-22(24(32)29(3)25(30)33)27-19(8-5-4-6-13-31)20(28-23)15-34-21-10-7-9-18-17(21)11-12-26-18;1-16(2)14-28-22-21(23(30)27(4)24(28)31)25-18(11-6-5-9-13-29)19(26-22)15-32-20-12-8-7-10-17(20)3/h6-7,9-12,14,18,32H,4-5,8,13,15-17H2,1-3H3;6-7,9-10,13-14,17,32H,4-5,8,11-12,15-16H2,1-3H3;7-9,11-13,17,32H,4-6,10,14-16H2,1-3H3;7-8,10-12,14,17,32H,4-6,9,13,15-16H2,1-3H3;7,9-12,16,26,31H,4-6,8,13-15H2,1-3H3;7-8,10,12,16,29H,5-6,9,11,13-15H2,1-4H3
• InChIKey: FEBPCBKVLJIOBH-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 649.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 51
• Rotatable Bonds: 60
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2815.37
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione?

The IUPAC name of 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione (CID 158004073) is 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione.

What is the SMILES notation for 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione?

The canonical SMILES for 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione is CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4[nH]ccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4ccccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4cnccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4ncccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cncc4ccccc34)nc21.Cc1ccccc1OCc1nc2c(nc1CCCCCO)c(=O)n(C)c(=O)n2CC(C)C.

What is the InChIKey of 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione?

The InChIKey is FEBPCBKVLJIOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.3C26H31N5O4.C25H31N5O4.C24H32N4O4/c1-18(2)16-31-25-24(26(33)30(3)27(31)34)28-21(13-5-4-8-15-32)22(29-25)17-35-23-14-9-11-19-10-6-7-12-20(19)23;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(11-5-4-8-12-32)21(29-24)16-35-22-14-27-13-18-9-6-7-10-19(18)22;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(10-5-4-6-14-32)21(29-24)16-35-22-12-7-11-19-18(22)9-8-13-27-19;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)21(29-24)16-35-22-10-7-8-18-14-27-12-11-19(18)22;1-16(2)14-30-23-22(24(32)29(3)25(30)33)27-19(8-5-4-6-13-31)20(28-23)15-34-21-10-7-9-18-17(21)11-12-26-18;1-16(2)14-28-22-21(23(30)27(4)24(28)31)25-18(11-6-5-9-13-29)19(26-22)15-32-20-12-8-7-10-17(20)3/h6-7,9-12,14,18,32H,4-5,8,13,15-17H2,1-3H3;6-7,9-10,13-14,17,32H,4-5,8,11-12,15-16H2,1-3H3;7-9,11-13,17,32H,4-6,10,14-16H2,1-3H3;7-8,10-12,14,17,32H,4-6,9,13,15-16H2,1-3H3;7,9-12,16,26,31H,4-6,8,13-15H2,1-3H3;7-8,10,12,16,29H,5-6,9,11,13-15H2,1-4H3.

What are the key properties of 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione?

6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione has a molecular weight of 2815.37 g/mol, XLogP of 18.17, 60 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione is sourced from PubChem (CID 158004073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).