6-aminoquinoline-4-carboxylic acid;dihydrochloride

C10H10Cl2N2O2 — CID 171397441

IUPAC6-aminoquinoline-4-carboxylic acid;dihydrochloride
SMILESCl.Cl.Nc1ccc2nccc(C(=O)O)c2c1
InChIInChI=1S/C10H8N2O2.2ClH/c11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9;;/h1-5H,11H2,(H,13,14);2*1H
InChIKeyZKSCZZKHMTYUQN-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.36
Rot. Bonds1

About 6-aminoquinoline-4-carboxylic acid;dihydrochloride

6-aminoquinoline-4-carboxylic acid;dihydrochloride (PubChem CID 171397441) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 6-aminoquinoline-4-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name6-aminoquinoline-4-carboxylic acid;dihydrochloride
PubChem CID171397441
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name6-aminoquinoline-4-carboxylic acid;dihydrochloride
SMILESCl.Cl.Nc1ccc2nccc(C(=O)O)c2c1
InChIInChI=1S/C10H8N2O2.2ClH/c11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9;;/h1-5H,11H2,(H,13,14);2*1H
InChIKeyZKSCZZKHMTYUQN-UHFFFAOYSA-N
XLogP2.36
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-aminoquinoline-4-carboxylic acid;dihydrochloride?
The IUPAC name of 6-aminoquinoline-4-carboxylic acid;dihydrochloride (CID 171397441) is 6-aminoquinoline-4-carboxylic acid;dihydrochloride.
What is the SMILES notation for 6-aminoquinoline-4-carboxylic acid;dihydrochloride?
The canonical SMILES for 6-aminoquinoline-4-carboxylic acid;dihydrochloride is Cl.Cl.Nc1ccc2nccc(C(=O)O)c2c1.
What is the InChIKey of 6-aminoquinoline-4-carboxylic acid;dihydrochloride?
The InChIKey is ZKSCZZKHMTYUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.2ClH/c11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9;;/h1-5H,11H2,(H,13,14);2*1H.
What are the key properties of 6-aminoquinoline-4-carboxylic acid;dihydrochloride?
6-aminoquinoline-4-carboxylic acid;dihydrochloride has a molecular weight of 261.11 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminoquinoline-4-carboxylic acid;dihydrochloride is sourced from PubChem (CID 171397441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).