10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione

C18H14N4O2 — CID 91937753

IUPAC10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione
SMILESCc1ccc(Cn2c3nc(=O)[nH]c(=O)c-3nc3ccccc32)cc1
InChIInChI=1S/C18H14N4O2/c1-11-6-8-12(9-7-11)10-22-14-5-3-2-4-13(14)19-15-16(22)20-18(24)21-17(15)23/h2-9H,10H2,1H3,(H,21,23,24)
InChIKeyGTSOVRGYRBDAAM-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.94
Rot. Bonds2

About 10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione

10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione (PubChem CID 91937753) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione
PubChem CID91937753
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione
SMILESCc1ccc(Cn2c3nc(=O)[nH]c(=O)c-3nc3ccccc32)cc1
InChIInChI=1S/C18H14N4O2/c1-11-6-8-12(9-7-11)10-22-14-5-3-2-4-13(14)19-15-16(22)20-18(24)21-17(15)23/h2-9H,10H2,1H3,(H,21,23,24)
InChIKeyGTSOVRGYRBDAAM-UHFFFAOYSA-N
XLogP1.94
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.94
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 10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione (CID 91937753) is 10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione is Cc1ccc(Cn2c3nc(=O)[nH]c(=O)c-3nc3ccccc32)cc1.
What is the InChIKey of 10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione?
The InChIKey is GTSOVRGYRBDAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-11-6-8-12(9-7-11)10-22-14-5-3-2-4-13(14)19-15-16(22)20-18(24)21-17(15)23/h2-9H,10H2,1H3,(H,21,23,24).
What are the key properties of 10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione?
10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione has a molecular weight of 318.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-methylphenyl)methyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 91937753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).