4,7-dimethylcinnoline

C10H10N2 — CID 59539244

IUPAC4,7-dimethylcinnoline
SMILESCc1ccc2c(C)cnnc2c1
InChIInChI=1S/C10H10N2/c1-7-3-4-9-8(2)6-11-12-10(9)5-7/h3-6H,1-2H3
InChIKeyRBOQRNCMGYEQSM-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.25
Rot. Bonds

About 4,7-dimethylcinnoline

4,7-dimethylcinnoline (PubChem CID 59539244) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4,7-dimethylcinnoline.

Molecular Properties

Compound Name4,7-dimethylcinnoline
PubChem CID59539244
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name4,7-dimethylcinnoline
SMILESCc1ccc2c(C)cnnc2c1
InChIInChI=1S/C10H10N2/c1-7-3-4-9-8(2)6-11-12-10(9)5-7/h3-6H,1-2H3
InChIKeyRBOQRNCMGYEQSM-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 4,7-dimethylcinnoline?
The IUPAC name of 4,7-dimethylcinnoline (CID 59539244) is 4,7-dimethylcinnoline.
What is the SMILES notation for 4,7-dimethylcinnoline?
The canonical SMILES for 4,7-dimethylcinnoline is Cc1ccc2c(C)cnnc2c1.
What is the InChIKey of 4,7-dimethylcinnoline?
The InChIKey is RBOQRNCMGYEQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-7-3-4-9-8(2)6-11-12-10(9)5-7/h3-6H,1-2H3.
What are the key properties of 4,7-dimethylcinnoline?
4,7-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 4,7-dimethylcinnoline is sourced from PubChem (CID 59539244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).