8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline

C14H10N4O — CID 2837746

IUPAC8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline
SMILESc1ccc(-c2cc3c(nn2)CCc2nonc2-3)cc1
InChIInChI=1S/C14H10N4O/c1-2-4-9(5-3-1)13-8-10-11(15-16-13)6-7-12-14(10)18-19-17-12/h1-5,8H,6-7H2
InChIKeyOYSHBJLBHAYFAK-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.29
Rot. Bonds1

About 8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline

8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline (PubChem CID 2837746) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline.

Molecular Properties

Compound Name8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline
PubChem CID2837746
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline
SMILESc1ccc(-c2cc3c(nn2)CCc2nonc2-3)cc1
InChIInChI=1S/C14H10N4O/c1-2-4-9(5-3-1)13-8-10-11(15-16-13)6-7-12-14(10)18-19-17-12/h1-5,8H,6-7H2
InChIKeyOYSHBJLBHAYFAK-UHFFFAOYSA-N
XLogP2.29
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The IUPAC name of 8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline (CID 2837746) is 8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline.
What is the SMILES notation for 8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The canonical SMILES for 8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline is c1ccc(-c2cc3c(nn2)CCc2nonc2-3)cc1.
What is the InChIKey of 8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
The InChIKey is OYSHBJLBHAYFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-2-4-9(5-3-1)13-8-10-11(15-16-13)6-7-12-14(10)18-19-17-12/h1-5,8H,6-7H2.
What are the key properties of 8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline?
8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline has a molecular weight of 250.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnoline is sourced from PubChem (CID 2837746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).