benzo[c]cinnoline;cinnoline

C20H14N4 — CID 70561425

IUPACbenzo[c]cinnoline;cinnoline
SMILESc1ccc2c(c1)nnc1ccccc12.c1ccc2nnccc2c1
InChIInChI=1S/C12H8N2.C8H6N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11;1-2-4-8-7(3-1)5-6-9-10-8/h1-8H;1-6H
InChIKeyDUDXRTIWHIGVAT-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.41
Rot. Bonds

About benzo[c]cinnoline;cinnoline

benzo[c]cinnoline;cinnoline (PubChem CID 70561425) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is benzo[c]cinnoline;cinnoline.

Molecular Properties

Compound Namebenzo[c]cinnoline;cinnoline
PubChem CID70561425
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Namebenzo[c]cinnoline;cinnoline
SMILESc1ccc2c(c1)nnc1ccccc12.c1ccc2nnccc2c1
InChIInChI=1S/C12H8N2.C8H6N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11;1-2-4-8-7(3-1)5-6-9-10-8/h1-8H;1-6H
InChIKeyDUDXRTIWHIGVAT-UHFFFAOYSA-N
XLogP4.41
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[c]cinnoline;cinnoline?
The IUPAC name of benzo[c]cinnoline;cinnoline (CID 70561425) is benzo[c]cinnoline;cinnoline.
What is the SMILES notation for benzo[c]cinnoline;cinnoline?
The canonical SMILES for benzo[c]cinnoline;cinnoline is c1ccc2c(c1)nnc1ccccc12.c1ccc2nnccc2c1.
What is the InChIKey of benzo[c]cinnoline;cinnoline?
The InChIKey is DUDXRTIWHIGVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C8H6N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11;1-2-4-8-7(3-1)5-6-9-10-8/h1-8H;1-6H.
What are the key properties of benzo[c]cinnoline;cinnoline?
benzo[c]cinnoline;cinnoline has a molecular weight of 310.36 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c]cinnoline;cinnoline is sourced from PubChem (CID 70561425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).