6,7-diphenyl-3H-pteridin-4-one

C18H12N4O — CID 135435182

IUPAC6,7-diphenyl-3H-pteridin-4-one
SMILESO=c1[nH]cnc2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C18H12N4O/c23-18-16-17(19-11-20-18)22-15(13-9-5-2-6-10-13)14(21-16)12-7-3-1-4-8-12/h1-11H,(H,19,20,22,23)
InChIKeyUMUYUDSQRKTBKA-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.05
Rot. Bonds2

About 6,7-diphenyl-3H-pteridin-4-one

6,7-diphenyl-3H-pteridin-4-one (PubChem CID 135435182) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 6,7-diphenyl-3H-pteridin-4-one.

Molecular Properties

Compound Name6,7-diphenyl-3H-pteridin-4-one
PubChem CID135435182
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name6,7-diphenyl-3H-pteridin-4-one
SMILESO=c1[nH]cnc2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C18H12N4O/c23-18-16-17(19-11-20-18)22-15(13-9-5-2-6-10-13)14(21-16)12-7-3-1-4-8-12/h1-11H,(H,19,20,22,23)
InChIKeyUMUYUDSQRKTBKA-UHFFFAOYSA-N
XLogP3.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-diphenyl-3H-pteridin-4-one?
The IUPAC name of 6,7-diphenyl-3H-pteridin-4-one (CID 135435182) is 6,7-diphenyl-3H-pteridin-4-one.
What is the SMILES notation for 6,7-diphenyl-3H-pteridin-4-one?
The canonical SMILES for 6,7-diphenyl-3H-pteridin-4-one is O=c1[nH]cnc2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 6,7-diphenyl-3H-pteridin-4-one?
The InChIKey is UMUYUDSQRKTBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c23-18-16-17(19-11-20-18)22-15(13-9-5-2-6-10-13)14(21-16)12-7-3-1-4-8-12/h1-11H,(H,19,20,22,23).
What are the key properties of 6,7-diphenyl-3H-pteridin-4-one?
6,7-diphenyl-3H-pteridin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diphenyl-3H-pteridin-4-one is sourced from PubChem (CID 135435182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).