7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid

C11H10N2O3 — CID 84819583

IUPAC7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid
SMILESCCc1ccc2c(=O)c(C(=O)O)n[nH]c2c1
InChIInChI=1S/C11H10N2O3/c1-2-6-3-4-7-8(5-6)12-13-9(10(7)14)11(15)16/h3-5H,2H2,1H3,(H,12,14)(H,15,16)
InChIKeyFMJDUPRKLVWLOB-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.18
Rot. Bonds2

About 7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid

7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid (PubChem CID 84819583) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid
PubChem CID84819583
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid
SMILESCCc1ccc2c(=O)c(C(=O)O)n[nH]c2c1
InChIInChI=1S/C11H10N2O3/c1-2-6-3-4-7-8(5-6)12-13-9(10(7)14)11(15)16/h3-5H,2H2,1H3,(H,12,14)(H,15,16)
InChIKeyFMJDUPRKLVWLOB-UHFFFAOYSA-N
XLogP1.18
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid?
The IUPAC name of 7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid (CID 84819583) is 7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid.
What is the SMILES notation for 7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid?
The canonical SMILES for 7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid is CCc1ccc2c(=O)c(C(=O)O)n[nH]c2c1.
What is the InChIKey of 7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid?
The InChIKey is FMJDUPRKLVWLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-6-3-4-7-8(5-6)12-13-9(10(7)14)11(15)16/h3-5H,2H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid?
7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid is sourced from PubChem (CID 84819583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).