7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione

C22H22N4O2 — CID 88899590

IUPAC7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCc3ccccc3)c2cc1C
InChIInChI=1S/C22H22N4O2/c1-14-12-17-18(13-15(14)2)26(11-7-6-10-16-8-4-3-5-9-16)20-19(23-17)21(27)25-22(28)24-20/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,25,27,28)
InChIKeyLTNNVDDYJJDTHL-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.22
Rot. Bonds5

About 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione

7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione (PubChem CID 88899590) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
PubChem CID88899590
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCc3ccccc3)c2cc1C
InChIInChI=1S/C22H22N4O2/c1-14-12-17-18(13-15(14)2)26(11-7-6-10-16-8-4-3-5-9-16)20-19(23-17)21(27)25-22(28)24-20/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,25,27,28)
InChIKeyLTNNVDDYJJDTHL-UHFFFAOYSA-N
XLogP3.22
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione?
The IUPAC name of 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione (CID 88899590) is 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCc3ccccc3)c2cc1C.
What is the InChIKey of 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione?
The InChIKey is LTNNVDDYJJDTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-12-17-18(13-15(14)2)26(11-7-6-10-16-8-4-3-5-9-16)20-19(23-17)21(27)25-22(28)24-20/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,25,27,28).
What are the key properties of 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione?
7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 88899590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).