4-amino-5,7-dimethylcinnoline-3-carboxylic acid

C11H11N3O2 — CID 82393494

IUPAC4-amino-5,7-dimethylcinnoline-3-carboxylic acid
SMILESCc1cc(C)c2c(N)c(C(=O)O)nnc2c1
InChIInChI=1S/C11H11N3O2/c1-5-3-6(2)8-7(4-5)13-14-10(9(8)12)11(15)16/h3-4H,1-2H3,(H2,12,13)(H,15,16)
InChIKeyFJSKHNYGUPNAQK-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.53
Rot. Bonds1

About 4-amino-5,7-dimethylcinnoline-3-carboxylic acid

4-amino-5,7-dimethylcinnoline-3-carboxylic acid (PubChem CID 82393494) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-amino-5,7-dimethylcinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5,7-dimethylcinnoline-3-carboxylic acid
PubChem CID82393494
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-amino-5,7-dimethylcinnoline-3-carboxylic acid
SMILESCc1cc(C)c2c(N)c(C(=O)O)nnc2c1
InChIInChI=1S/C11H11N3O2/c1-5-3-6(2)8-7(4-5)13-14-10(9(8)12)11(15)16/h3-4H,1-2H3,(H2,12,13)(H,15,16)
InChIKeyFJSKHNYGUPNAQK-UHFFFAOYSA-N
XLogP1.53
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,7-dimethylcinnoline-3-carboxylic acid?
The IUPAC name of 4-amino-5,7-dimethylcinnoline-3-carboxylic acid (CID 82393494) is 4-amino-5,7-dimethylcinnoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5,7-dimethylcinnoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5,7-dimethylcinnoline-3-carboxylic acid is Cc1cc(C)c2c(N)c(C(=O)O)nnc2c1.
What is the InChIKey of 4-amino-5,7-dimethylcinnoline-3-carboxylic acid?
The InChIKey is FJSKHNYGUPNAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-5-3-6(2)8-7(4-5)13-14-10(9(8)12)11(15)16/h3-4H,1-2H3,(H2,12,13)(H,15,16).
What are the key properties of 4-amino-5,7-dimethylcinnoline-3-carboxylic acid?
4-amino-5,7-dimethylcinnoline-3-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,7-dimethylcinnoline-3-carboxylic acid is sourced from PubChem (CID 82393494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).