3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione

C18H11F3N4O2 — CID 14860354

IUPAC3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione
SMILESCn1c(=O)nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c1=O
InChIInChI=1S/C18H11F3N4O2/c1-24-16(26)14-15(23-17(24)27)25(13-8-3-2-7-12(13)22-14)11-6-4-5-10(9-11)18(19,20)21/h2-9H,1H3
InChIKeyYRGNPRUMQHQEEU-UHFFFAOYSA-N
MW372.31 g/mol
LogP2.60
Rot. Bonds1

About 3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione

3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione (PubChem CID 14860354) has the molecular formula C18H11F3N4O2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione
PubChem CID14860354
Molecular FormulaC18H11F3N4O2
Molecular Weight372.31 g/mol
Exact Mass372.08
IUPAC Name3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione
SMILESCn1c(=O)nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c1=O
InChIInChI=1S/C18H11F3N4O2/c1-24-16(26)14-15(23-17(24)27)25(13-8-3-2-7-12(13)22-14)11-6-4-5-10(9-11)18(19,20)21/h2-9H,1H3
InChIKeyYRGNPRUMQHQEEU-UHFFFAOYSA-N
XLogP2.60
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione (CID 14860354) is 3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione is Cn1c(=O)nc2n(-c3cccc(C(F)(F)F)c3)c3ccccc3nc-2c1=O.
What is the InChIKey of 3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
The InChIKey is YRGNPRUMQHQEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O2/c1-24-16(26)14-15(23-17(24)27)25(13-8-3-2-7-12(13)22-14)11-6-4-5-10(9-11)18(19,20)21/h2-9H,1H3.
What are the key properties of 3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione has a molecular weight of 372.31 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 14860354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).