10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione

C17H10ClFN4O2 — CID 14860363

IUPAC10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione
SMILESCn1c(=O)nc2n(-c3ccc(Cl)cc3F)c3ccccc3nc-2c1=O
InChIInChI=1S/C17H10ClFN4O2/c1-22-16(24)14-15(21-17(22)25)23(12-7-6-9(18)8-10(12)19)13-5-3-2-4-11(13)20-14/h2-8H,1H3
InChIKeyDLGLHLARPMVMPO-UHFFFAOYSA-N
MW356.74 g/mol
LogP2.38
Rot. Bonds1

About 10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione

10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione (PubChem CID 14860363) has the molecular formula C17H10ClFN4O2 and a molecular weight of 356.74 g/mol. Its IUPAC name is 10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione
PubChem CID14860363
Molecular FormulaC17H10ClFN4O2
Molecular Weight356.74 g/mol
Exact Mass356.05
IUPAC Name10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione
SMILESCn1c(=O)nc2n(-c3ccc(Cl)cc3F)c3ccccc3nc-2c1=O
InChIInChI=1S/C17H10ClFN4O2/c1-22-16(24)14-15(21-17(22)25)23(12-7-6-9(18)8-10(12)19)13-5-3-2-4-11(13)20-14/h2-8H,1H3
InChIKeyDLGLHLARPMVMPO-UHFFFAOYSA-N
XLogP2.38
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 52.38
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 10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione (CID 14860363) is 10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione is Cn1c(=O)nc2n(-c3ccc(Cl)cc3F)c3ccccc3nc-2c1=O.
What is the InChIKey of 10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione?
The InChIKey is DLGLHLARPMVMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O2/c1-22-16(24)14-15(21-17(22)25)23(12-7-6-9(18)8-10(12)19)13-5-3-2-4-11(13)20-14/h2-8H,1H3.
What are the key properties of 10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione?
10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione has a molecular weight of 356.74 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 14860363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).