3,4-dimethylcinnoline

C10H10N2 — CID 594068

IUPAC3,4-dimethylcinnoline
SMILESCc1nnc2ccccc2c1C
InChIInChI=1S/C10H10N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h3-6H,1-2H3
InChIKeyFNBCNZVYOVGSRD-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.25
Rot. Bonds

About 3,4-dimethylcinnoline

3,4-dimethylcinnoline (PubChem CID 594068) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3,4-dimethylcinnoline.

Molecular Properties

Compound Name3,4-dimethylcinnoline
PubChem CID594068
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3,4-dimethylcinnoline
SMILESCc1nnc2ccccc2c1C
InChIInChI=1S/C10H10N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h3-6H,1-2H3
InChIKeyFNBCNZVYOVGSRD-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylcinnoline?
The IUPAC name of 3,4-dimethylcinnoline (CID 594068) is 3,4-dimethylcinnoline.
What is the SMILES notation for 3,4-dimethylcinnoline?
The canonical SMILES for 3,4-dimethylcinnoline is Cc1nnc2ccccc2c1C.
What is the InChIKey of 3,4-dimethylcinnoline?
The InChIKey is FNBCNZVYOVGSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-7-8(2)11-12-10-6-4-3-5-9(7)10/h3-6H,1-2H3.
What are the key properties of 3,4-dimethylcinnoline?
3,4-dimethylcinnoline has a molecular weight of 158.20 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylcinnoline is sourced from PubChem (CID 594068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).