7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione

C147H179Br2N31O24 — CID 157415601

IUPAC7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3c(Br)cc(Br)c4cnccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cc4ccccc4cn3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4cccnc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4nccnc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccnc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccncc3)nc21
InChIInChI=1S/C26H29Br2N5O4.2C26H31N5O4.C25H30N6O4.2C22H29N5O4/c1-15(2)13-33-24-22(25(35)32(3)26(33)36)30-20(7-5-4-6-10-34)21(31-24)14-37-23-16-8-9-29-12-17(16)18(27)11-19(23)28;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)16-35-22-13-18-9-6-7-10-19(18)14-27-22;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-19(11-5-4-6-14-32)20(29-24)16-35-21-12-7-9-18-10-8-13-27-22(18)21;1-16(2)14-31-23-22(24(33)30(3)25(31)34)28-17(8-5-4-6-13-32)19(29-23)15-35-20-10-7-9-18-21(20)27-12-11-26-18;1-15(2)13-27-20-19(21(29)26(3)22(27)30)24-17(9-5-4-6-11-28)18(25-20)14-31-16-8-7-10-23-12-16;1-15(2)13-27-20-19(21(29)26(3)22(27)30)24-17(7-5-4-6-12-28)18(25-20)14-31-16-8-10-23-11-9-16/h8-9,11-12,15,34H,4-7,10,13-14H2,1-3H3;6-7,9-10,13-14,17,32H,4-5,8,11-12,15-16H2,1-3H3;7-10,12-13,17,32H,4-6,11,14-16H2,1-3H3;7,9-12,16,32H,4-6,8,13-15H2,1-3H3;7-8,10,12,15,28H,4-6,9,11,13-14H2,1-3H3;8-11,15,28H,4-7,12-14H2,1-3H3
InChIKeyBOUQBNQCCIDNPV-UHFFFAOYSA-N
MW2924.05 g/mol
LogP16.48
Rot. Bonds60

About 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione

7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione (PubChem CID 157415601) has the molecular formula C147H179Br2N31O24 and a molecular weight of 2924.05 g/mol. Its IUPAC name is 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione.

Molecular Properties

Compound Name7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione
PubChem CID157415601
Molecular FormulaC147H179Br2N31O24
Molecular Weight2924.05 g/mol
Exact Mass2920.21
IUPAC Name7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3c(Br)cc(Br)c4cnccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cc4ccccc4cn3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4cccnc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4nccnc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccnc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccncc3)nc21
InChIInChI=1S/C26H29Br2N5O4.2C26H31N5O4.C25H30N6O4.2C22H29N5O4/c1-15(2)13-33-24-22(25(35)32(3)26(33)36)30-20(7-5-4-6-10-34)21(31-24)14-37-23-16-8-9-29-12-17(16)18(27)11-19(23)28;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)16-35-22-13-18-9-6-7-10-19(18)14-27-22;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-19(11-5-4-6-14-32)20(29-24)16-35-21-12-7-9-18-10-8-13-27-22(18)21;1-16(2)14-31-23-22(24(33)30(3)25(31)34)28-17(8-5-4-6-13-32)19(29-23)15-35-20-10-7-9-18-21(20)27-12-11-26-18;1-15(2)13-27-20-19(21(29)26(3)22(27)30)24-17(9-5-4-6-11-28)18(25-20)14-31-16-8-7-10-23-12-16;1-15(2)13-27-20-19(21(29)26(3)22(27)30)24-17(7-5-4-6-12-28)18(25-20)14-31-16-8-10-23-11-9-16/h8-9,11-12,15,34H,4-7,10,13-14H2,1-3H3;6-7,9-10,13-14,17,32H,4-5,8,11-12,15-16H2,1-3H3;7-10,12-13,17,32H,4-6,11,14-16H2,1-3H3;7,9-12,16,32H,4-6,8,13-15H2,1-3H3;7-8,10,12,15,28H,4-6,9,11,13-14H2,1-3H3;8-11,15,28H,4-7,12-14H2,1-3H3
InChIKeyBOUQBNQCCIDNPV-UHFFFAOYSA-N
XLogP16.48
TPSA685.67 Ų
H-Bond Donors6
H-Bond Acceptors55
Rotatable Bonds60
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002924.05
LogP ≤ 516.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione with MolForge

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Related Compounds

7-[(2-Bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione
CID 159869124
7-[(2-Bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione
CID 160258617
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-(phenoxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(4-phenylphenoxy)methyl]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-[[3-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione
CID 161834425
7-[(6,8-Dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione
CID 122423750
5-[7-[(6,8-Dibromoisoquinolin-5-yl)oxymethyl]-3-methyl-1-(2-methylpropyl)-2,4-dioxopteridin-6-yl]pentyl acetate
CID 122423771
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
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
7-[(6,8-Dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione
CID 159454624
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-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 160051833

Frequently Asked Questions

What is the IUPAC name of 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione?
The IUPAC name of 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione (CID 157415601) is 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione.
What is the SMILES notation for 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione?
The canonical SMILES for 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione is CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3c(Br)cc(Br)c4cnccc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cc4ccccc4cn3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4cccnc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4nccnc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccnc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccncc3)nc21.
What is the InChIKey of 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione?
The InChIKey is BOUQBNQCCIDNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Br2N5O4.2C26H31N5O4.C25H30N6O4.2C22H29N5O4/c1-15(2)13-33-24-22(25(35)32(3)26(33)36)30-20(7-5-4-6-10-34)21(31-24)14-37-23-16-8-9-29-12-17(16)18(27)11-19(23)28;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)16-35-22-13-18-9-6-7-10-19(18)14-27-22;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-19(11-5-4-6-14-32)20(29-24)16-35-21-12-7-9-18-10-8-13-27-22(18)21;1-16(2)14-31-23-22(24(33)30(3)25(31)34)28-17(8-5-4-6-13-32)19(29-23)15-35-20-10-7-9-18-21(20)27-12-11-26-18;1-15(2)13-27-20-19(21(29)26(3)22(27)30)24-17(9-5-4-6-11-28)18(25-20)14-31-16-8-7-10-23-12-16;1-15(2)13-27-20-19(21(29)26(3)22(27)30)24-17(7-5-4-6-12-28)18(25-20)14-31-16-8-10-23-11-9-16/h8-9,11-12,15,34H,4-7,10,13-14H2,1-3H3;6-7,9-10,13-14,17,32H,4-5,8,11-12,15-16H2,1-3H3;7-10,12-13,17,32H,4-6,11,14-16H2,1-3H3;7,9-12,16,32H,4-6,8,13-15H2,1-3H3;7-8,10,12,15,28H,4-6,9,11,13-14H2,1-3H3;8-11,15,28H,4-7,12-14H2,1-3H3.
What are the key properties of 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione?
7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione has a molecular weight of 2924.05 g/mol, XLogP of 16.48, 60 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6,8-dibromoisoquinolin-5-yl)oxymethyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-3-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-3-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(pyridin-4-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-8-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinoxalin-5-yloxymethyl)pteridine-2,4-dione is sourced from PubChem (CID 157415601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).