10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione

C17H20N4O4 — CID 59115245

IUPAC10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)CCCO)c2cc1C
InChIInChI=1S/C17H20N4O4/c1-9-6-12-13(7-10(9)2)21(8-11(23)4-3-5-22)15-14(18-12)16(24)20-17(25)19-15/h6-7,11,22-23H,3-5,8H2,1-2H3,(H,20,24,25)
InChIKeyCINVZXXSHVVMSP-UHFFFAOYSA-N
MW344.37 g/mol
LogP0.33
Rot. Bonds5

About 10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione

10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione (PubChem CID 59115245) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
PubChem CID59115245
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)CCCO)c2cc1C
InChIInChI=1S/C17H20N4O4/c1-9-6-12-13(7-10(9)2)21(8-11(23)4-3-5-22)15-14(18-12)16(24)20-17(25)19-15/h6-7,11,22-23H,3-5,8H2,1-2H3,(H,20,24,25)
InChIKeyCINVZXXSHVVMSP-UHFFFAOYSA-N
XLogP0.33
TPSA121.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7,8-dimethyl-10-[(2R)-2,4,5-trihydroxypentyl]benzo[g]pteridine-2,4-dione
CID 166944134
10-[3-hydroxy-2-(hydroxymethyl)propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione;methanediol
CID 161044136
7,8-dimethyl-10-(2,3,4,5,6-pentahydroxyhexyl)benzo[g]pteridine-2,4-dione
CID 21500
7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
CID 101215328
CID 174938559
CID 174938559
calcium;7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione;hydride
CID 173150978
7-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-5-hydroxyheptanoic acid
CID 86663569
7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione;propanoic acid
CID 87438252
(2R,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentanoic acid
CID 102092133
10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 89311042
7,8-dimethyl-10-(3,4,5-trihydroxy-2-oxopentyl)benzo[g]pteridine-2,4-dione
CID 20674188
7,8-dimethyl-10-[(3R,4R)-3,4,5-trihydroxy-2-oxopentyl]benzo[g]pteridine-2,4-dione
CID 177393358

Frequently Asked Questions

What is the IUPAC name of 10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione (CID 59115245) is 10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)CCCO)c2cc1C.
What is the InChIKey of 10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The InChIKey is CINVZXXSHVVMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-9-6-12-13(7-10(9)2)21(8-11(23)4-3-5-22)15-14(18-12)16(24)20-17(25)19-15/h6-7,11,22-23H,3-5,8H2,1-2H3,(H,20,24,25).
What are the key properties of 10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione?
10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione has a molecular weight of 344.37 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,5-dihydroxypentyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 59115245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).