4-phenylcinnoline

C14H10N2 — CID 609867

IUPAC4-phenylcinnoline
SMILESc1ccc(-c2cnnc3ccccc23)cc1
InChIInChI=1S/C14H10N2/c1-2-6-11(7-3-1)13-10-15-16-14-9-5-4-8-12(13)14/h1-10H
InChIKeyOAOOODCTWFOHQL-UHFFFAOYSA-N
MW206.25 g/mol
LogP3.30
Rot. Bonds1

About 4-phenylcinnoline

4-phenylcinnoline (PubChem CID 609867) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-phenylcinnoline.

Molecular Properties

Compound Name4-phenylcinnoline
PubChem CID609867
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name4-phenylcinnoline
SMILESc1ccc(-c2cnnc3ccccc23)cc1
InChIInChI=1S/C14H10N2/c1-2-6-11(7-3-1)13-10-15-16-14-9-5-4-8-12(13)14/h1-10H
InChIKeyOAOOODCTWFOHQL-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylcinnoline?
The IUPAC name of 4-phenylcinnoline (CID 609867) is 4-phenylcinnoline.
What is the SMILES notation for 4-phenylcinnoline?
The canonical SMILES for 4-phenylcinnoline is c1ccc(-c2cnnc3ccccc23)cc1.
What is the InChIKey of 4-phenylcinnoline?
The InChIKey is OAOOODCTWFOHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-6-11(7-3-1)13-10-15-16-14-9-5-4-8-12(13)14/h1-10H.
What are the key properties of 4-phenylcinnoline?
4-phenylcinnoline has a molecular weight of 206.25 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylcinnoline is sourced from PubChem (CID 609867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).