7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione

C121H147Br3ClFN22O20 — CID 158693203

About 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione

7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione (PubChem CID 158693203) has the molecular formula C121H147Br3ClFN22O20 and a molecular weight of 2523.80 g/mol. Its IUPAC name is 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione.

Molecular Properties

• Compound Name: 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione
• PubChem CID: 158693203
• Molecular Formula: C121H147Br3ClFN22O20
• Molecular Weight: 2523.80 g/mol
• Exact Mass: 2518.84
• IUPAC Name: 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione
• SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc(Br)cc3Br)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc(Cl)cc3Br)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc4cccnc4c3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc4ncccc4c3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccccc3F)nc21
• InChI: InChI=1S/2C26H31N5O4.C23H28Br2N4O4.C23H28BrClN4O4.C23H29FN4O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-21(9-5-4-6-13-32)22(29-24)16-35-19-10-11-20-18(14-19)8-7-12-27-20;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)22(29-24)16-35-19-11-10-18-8-7-12-27-21(18)14-19;1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-9-8-15(24)11-16(19)25;1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-9-8-15(25)11-16(19)24;1-15(2)13-28-21-20(22(30)27(3)23(28)31)25-17(10-5-4-8-12-29)18(26-21)14-32-19-11-7-6-9-16(19)24/h2*7-8,10-12,14,17,32H,4-6,9,13,15-16H2,1-3H3;2*8-9,11,14,30H,4-7,10,12-13H2,1-3H3;6-7,9,11,15,29H,4-5,8,10,12-14H2,1-3H3
• InChIKey: IGPOMYGKEPAVEA-UHFFFAOYSA-N
• XLogP: 16.33
• TPSA: 521.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 50
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2523.80
LogP ≤ 5	16.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione?

The IUPAC name of 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione (CID 158693203) is 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione.

What is the SMILES notation for 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione?

The canonical SMILES for 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione is CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc(Br)cc3Br)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc(Cl)cc3Br)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc4cccnc4c3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc4ncccc4c3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccccc3F)nc21.

What is the InChIKey of 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione?

The InChIKey is IGPOMYGKEPAVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H31N5O4.C23H28Br2N4O4.C23H28BrClN4O4.C23H29FN4O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-21(9-5-4-6-13-32)22(29-24)16-35-19-10-11-20-18(14-19)8-7-12-27-20;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)22(29-24)16-35-19-11-10-18-8-7-12-27-21(18)14-19;1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-9-8-15(24)11-16(19)25;1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-9-8-15(25)11-16(19)24;1-15(2)13-28-21-20(22(30)27(3)23(28)31)25-17(10-5-4-8-12-29)18(26-21)14-32-19-11-7-6-9-16(19)24/h2*7-8,10-12,14,17,32H,4-6,9,13,15-16H2,1-3H3;2*8-9,11,14,30H,4-7,10,12-13H2,1-3H3;6-7,9,11,15,29H,4-5,8,10,12-14H2,1-3H3.

What are the key properties of 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione?

7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione has a molecular weight of 2523.80 g/mol, XLogP of 16.33, 50 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2,4-dibromophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-6-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione is sourced from PubChem (CID 158693203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).