8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione

C23H22N4O2 — CID 53492508

IUPAC8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccccc3)c2cc1C1CC1
InChIInChI=1S/C23H22N4O2/c1-14-12-18-19(13-17(14)16-9-10-16)27(11-5-8-15-6-3-2-4-7-15)21-20(24-18)22(28)26-23(29)25-21/h2-4,6-7,12-13,16H,5,8-11H2,1H3,(H,26,28,29)
InChIKeyUWFQZGZOUAVSTE-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.40
Rot. Bonds5

About 8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione

8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione (PubChem CID 53492508) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
PubChem CID53492508
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccccc3)c2cc1C1CC1
InChIInChI=1S/C23H22N4O2/c1-14-12-18-19(13-17(14)16-9-10-16)27(11-5-8-15-6-3-2-4-7-15)21-20(24-18)22(28)26-23(29)25-21/h2-4,6-7,12-13,16H,5,8-11H2,1H3,(H,26,28,29)
InChIKeyUWFQZGZOUAVSTE-UHFFFAOYSA-N
XLogP3.40
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
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-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
The IUPAC name of 8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione (CID 53492508) is 8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccccc3)c2cc1C1CC1.
What is the InChIKey of 8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
The InChIKey is UWFQZGZOUAVSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14-12-18-19(13-17(14)16-9-10-16)27(11-5-8-15-6-3-2-4-7-15)21-20(24-18)22(28)26-23(29)25-21/h2-4,6-7,12-13,16H,5,8-11H2,1H3,(H,26,28,29).
What are the key properties of 8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione has a molecular weight of 386.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 53492508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).