8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione

C16H16N4O3 — CID 141260349

IUPAC8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)[nH]c3nc2cc1OC1CCCC1
InChIInChI=1S/C16H16N4O3/c1-8-6-10-11(7-12(8)23-9-4-2-3-5-9)18-14-13(17-10)15(21)20-16(22)19-14/h6-7,9H,2-5H2,1H3,(H2,18,19,20,21,22)
InChIKeyXGKOZKUMWQYFEX-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.79
Rot. Bonds2

About 8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione

8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione (PubChem CID 141260349) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione
PubChem CID141260349
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)[nH]c3nc2cc1OC1CCCC1
InChIInChI=1S/C16H16N4O3/c1-8-6-10-11(7-12(8)23-9-4-2-3-5-9)18-14-13(17-10)15(21)20-16(22)19-14/h6-7,9H,2-5H2,1H3,(H2,18,19,20,21,22)
InChIKeyXGKOZKUMWQYFEX-UHFFFAOYSA-N
XLogP1.79
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione?
The IUPAC name of 8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione (CID 141260349) is 8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)[nH]c3nc2cc1OC1CCCC1.
What is the InChIKey of 8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione?
The InChIKey is XGKOZKUMWQYFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-8-6-10-11(7-12(8)23-9-4-2-3-5-9)18-14-13(17-10)15(21)20-16(22)19-14/h6-7,9H,2-5H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione?
8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione has a molecular weight of 312.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyloxy-7-methyl-1H-benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 141260349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).