7,8-dimethylcinnoline-3-carboxylic acid

C11H10N2O2 — CID 82397182

IUPAC7,8-dimethylcinnoline-3-carboxylic acid
SMILESCc1ccc2cc(C(=O)O)nnc2c1C
InChIInChI=1S/C11H10N2O2/c1-6-3-4-8-5-9(11(14)15)12-13-10(8)7(6)2/h3-5H,1-2H3,(H,14,15)
InChIKeyPGNAPBQSBLKBDH-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.94
Rot. Bonds1

About 7,8-dimethylcinnoline-3-carboxylic acid

7,8-dimethylcinnoline-3-carboxylic acid (PubChem CID 82397182) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 7,8-dimethylcinnoline-3-carboxylic acid.

Molecular Properties

Compound Name7,8-dimethylcinnoline-3-carboxylic acid
PubChem CID82397182
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name7,8-dimethylcinnoline-3-carboxylic acid
SMILESCc1ccc2cc(C(=O)O)nnc2c1C
InChIInChI=1S/C11H10N2O2/c1-6-3-4-8-5-9(11(14)15)12-13-10(8)7(6)2/h3-5H,1-2H3,(H,14,15)
InChIKeyPGNAPBQSBLKBDH-UHFFFAOYSA-N
XLogP1.94
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylcinnoline-3-carboxylic acid?
The IUPAC name of 7,8-dimethylcinnoline-3-carboxylic acid (CID 82397182) is 7,8-dimethylcinnoline-3-carboxylic acid.
What is the SMILES notation for 7,8-dimethylcinnoline-3-carboxylic acid?
The canonical SMILES for 7,8-dimethylcinnoline-3-carboxylic acid is Cc1ccc2cc(C(=O)O)nnc2c1C.
What is the InChIKey of 7,8-dimethylcinnoline-3-carboxylic acid?
The InChIKey is PGNAPBQSBLKBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-6-3-4-8-5-9(11(14)15)12-13-10(8)7(6)2/h3-5H,1-2H3,(H,14,15).
What are the key properties of 7,8-dimethylcinnoline-3-carboxylic acid?
7,8-dimethylcinnoline-3-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylcinnoline-3-carboxylic acid is sourced from PubChem (CID 82397182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).