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

C17H11FN4O2 — CID 91937755

IUPAC10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione
SMILESO=c1nc2n(Cc3cccc(F)c3)c3ccccc3nc-2c(=O)[nH]1
InChIInChI=1S/C17H11FN4O2/c18-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-14-15(22)20-17(24)21-16(14)23/h1-8H,9H2,(H,21,23,24)
InChIKeyYKFCMGCIKPDFCM-UHFFFAOYSA-N
MW322.30 g/mol
LogP1.77
Rot. Bonds2

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

10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione (PubChem CID 91937755) has the molecular formula C17H11FN4O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione
PubChem CID91937755
Molecular FormulaC17H11FN4O2
Molecular Weight322.30 g/mol
Exact Mass322.09
IUPAC Name10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione
SMILESO=c1nc2n(Cc3cccc(F)c3)c3ccccc3nc-2c(=O)[nH]1
InChIInChI=1S/C17H11FN4O2/c18-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-14-15(22)20-17(24)21-16(14)23/h1-8H,9H2,(H,21,23,24)
InChIKeyYKFCMGCIKPDFCM-UHFFFAOYSA-N
XLogP1.77
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 51.77
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-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione (CID 91937755) is 10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione is O=c1nc2n(Cc3cccc(F)c3)c3ccccc3nc-2c(=O)[nH]1.
What is the InChIKey of 10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione?
The InChIKey is YKFCMGCIKPDFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2/c18-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-14-15(22)20-17(24)21-16(14)23/h1-8H,9H2,(H,21,23,24).
What are the key properties of 10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione?
10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione has a molecular weight of 322.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-fluorophenyl)methyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 91937755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).