4-aminocinnoline-3-carboxylic acid;hydrochloride

C9H8ClN3O2 — CID 162342572

IUPAC4-aminocinnoline-3-carboxylic acid;hydrochloride
SMILESCl.Nc1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C9H7N3O2.ClH/c10-7-5-3-1-2-4-6(5)11-12-8(7)9(13)14;/h1-4H,(H2,10,11)(H,13,14);1H
InChIKeyMJFKKLLORUDBJC-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.33
Rot. Bonds1

About 4-aminocinnoline-3-carboxylic acid;hydrochloride

4-aminocinnoline-3-carboxylic acid;hydrochloride (PubChem CID 162342572) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 4-aminocinnoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-aminocinnoline-3-carboxylic acid;hydrochloride
PubChem CID162342572
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name4-aminocinnoline-3-carboxylic acid;hydrochloride
SMILESCl.Nc1c(C(=O)O)nnc2ccccc12
InChIInChI=1S/C9H7N3O2.ClH/c10-7-5-3-1-2-4-6(5)11-12-8(7)9(13)14;/h1-4H,(H2,10,11)(H,13,14);1H
InChIKeyMJFKKLLORUDBJC-UHFFFAOYSA-N
XLogP1.33
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-aminocinnoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-aminocinnoline-3-carboxylic acid;hydrochloride (CID 162342572) is 4-aminocinnoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-aminocinnoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-aminocinnoline-3-carboxylic acid;hydrochloride is Cl.Nc1c(C(=O)O)nnc2ccccc12.
What is the InChIKey of 4-aminocinnoline-3-carboxylic acid;hydrochloride?
The InChIKey is MJFKKLLORUDBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2.ClH/c10-7-5-3-1-2-4-6(5)11-12-8(7)9(13)14;/h1-4H,(H2,10,11)(H,13,14);1H.
What are the key properties of 4-aminocinnoline-3-carboxylic acid;hydrochloride?
4-aminocinnoline-3-carboxylic acid;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocinnoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 162342572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).