1,4,7,10-tetramethylbenzo[c]cinnoline

C16H16N2 — CID 15355242

IUPAC1,4,7,10-tetramethylbenzo[c]cinnoline
SMILESCc1ccc(C)c2c1nnc1c(C)ccc(C)c12
InChIInChI=1S/C16H16N2/c1-9-5-7-11(3)15-13(9)14-10(2)6-8-12(4)16(14)18-17-15/h5-8H,1-4H3
InChIKeyRDICTNJNGMEUHL-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.02
Rot. Bonds

About 1,4,7,10-tetramethylbenzo[c]cinnoline

1,4,7,10-tetramethylbenzo[c]cinnoline (PubChem CID 15355242) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1,4,7,10-tetramethylbenzo[c]cinnoline.

Molecular Properties

Compound Name1,4,7,10-tetramethylbenzo[c]cinnoline
PubChem CID15355242
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1,4,7,10-tetramethylbenzo[c]cinnoline
SMILESCc1ccc(C)c2c1nnc1c(C)ccc(C)c12
InChIInChI=1S/C16H16N2/c1-9-5-7-11(3)15-13(9)14-10(2)6-8-12(4)16(14)18-17-15/h5-8H,1-4H3
InChIKeyRDICTNJNGMEUHL-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,4,7,10-tetramethylbenzo[c]cinnoline?
The IUPAC name of 1,4,7,10-tetramethylbenzo[c]cinnoline (CID 15355242) is 1,4,7,10-tetramethylbenzo[c]cinnoline.
What is the SMILES notation for 1,4,7,10-tetramethylbenzo[c]cinnoline?
The canonical SMILES for 1,4,7,10-tetramethylbenzo[c]cinnoline is Cc1ccc(C)c2c1nnc1c(C)ccc(C)c12.
What is the InChIKey of 1,4,7,10-tetramethylbenzo[c]cinnoline?
The InChIKey is RDICTNJNGMEUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-9-5-7-11(3)15-13(9)14-10(2)6-8-12(4)16(14)18-17-15/h5-8H,1-4H3.
What are the key properties of 1,4,7,10-tetramethylbenzo[c]cinnoline?
1,4,7,10-tetramethylbenzo[c]cinnoline has a molecular weight of 236.32 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetramethylbenzo[c]cinnoline is sourced from PubChem (CID 15355242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).