10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione

C16H18N4O4 — CID 89311042

IUPAC10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCOCCO)c2cc1C
InChIInChI=1S/C16H18N4O4/c1-9-7-11-12(8-10(9)2)20(3-5-24-6-4-21)14-13(17-11)15(22)19-16(23)18-14/h7-8,21H,3-6H2,1-2H3,(H,19,22,23)
InChIKeyGMUHPDQJEIIHFA-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.21
Rot. Bonds5

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

10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione (PubChem CID 89311042) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
PubChem CID89311042
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCOCCO)c2cc1C
InChIInChI=1S/C16H18N4O4/c1-9-7-11-12(8-10(9)2)20(3-5-24-6-4-21)14-13(17-11)15(22)19-16(23)18-14/h7-8,21H,3-6H2,1-2H3,(H,19,22,23)
InChIKeyGMUHPDQJEIIHFA-UHFFFAOYSA-N
XLogP0.21
TPSA110.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione (CID 89311042) is 10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCOCCO)c2cc1C.
What is the InChIKey of 10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The InChIKey is GMUHPDQJEIIHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-9-7-11-12(8-10(9)2)20(3-5-24-6-4-21)14-13(17-11)15(22)19-16(23)18-14/h7-8,21H,3-6H2,1-2H3,(H,19,22,23).
What are the key properties of 10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione has a molecular weight of 330.34 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 89311042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).