10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione

C18H8F6N4O2 — CID 15192339

IUPAC10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione
SMILESO=c1nc2n(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3nc-2c(=O)[nH]1
InChIInChI=1S/C18H8F6N4O2/c19-17(20,21)8-5-9(18(22,23)24)7-10(6-8)28-12-4-2-1-3-11(12)25-13-14(28)26-16(30)27-15(13)29/h1-7H,(H,27,29,30)
InChIKeyHSCXTHHTKKRYMG-UHFFFAOYSA-N
MW426.28 g/mol
LogP3.61
Rot. Bonds1

About 10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione

10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione (PubChem CID 15192339) has the molecular formula C18H8F6N4O2 and a molecular weight of 426.28 g/mol. Its IUPAC name is 10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione
PubChem CID15192339
Molecular FormulaC18H8F6N4O2
Molecular Weight426.28 g/mol
Exact Mass426.06
IUPAC Name10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione
SMILESO=c1nc2n(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3nc-2c(=O)[nH]1
InChIInChI=1S/C18H8F6N4O2/c19-17(20,21)8-5-9(18(22,23)24)7-10(6-8)28-12-4-2-1-3-11(12)25-13-14(28)26-16(30)27-15(13)29/h1-7H,(H,27,29,30)
InChIKeyHSCXTHHTKKRYMG-UHFFFAOYSA-N
XLogP3.61
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 53.61
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-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione (CID 15192339) is 10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione is O=c1nc2n(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3nc-2c(=O)[nH]1.
What is the InChIKey of 10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
The InChIKey is HSCXTHHTKKRYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F6N4O2/c19-17(20,21)8-5-9(18(22,23)24)7-10(6-8)28-12-4-2-1-3-11(12)25-13-14(28)26-16(30)27-15(13)29/h1-7H,(H,27,29,30).
What are the key properties of 10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione?
10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione has a molecular weight of 426.28 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis(trifluoromethyl)phenyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 15192339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).