8-aminoquinoline-2-carboxylic acid

C10H8N2O2 — CID 917054

IUPAC8-aminoquinoline-2-carboxylic acid
SMILESNc1cccc2ccc(C(=O)O)nc12
InChIInChI=1S/C10H8N2O2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-5H,11H2,(H,13,14)
InChIKeyYHYCPHGLRYTKCI-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.52
Rot. Bonds1

About 8-aminoquinoline-2-carboxylic acid

8-aminoquinoline-2-carboxylic acid (PubChem CID 917054) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 8-aminoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-aminoquinoline-2-carboxylic acid
PubChem CID917054
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name8-aminoquinoline-2-carboxylic acid
SMILESNc1cccc2ccc(C(=O)O)nc12
InChIInChI=1S/C10H8N2O2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-5H,11H2,(H,13,14)
InChIKeyYHYCPHGLRYTKCI-UHFFFAOYSA-N
XLogP1.52
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.52
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 8-aminoquinoline-2-carboxylic acid?
The IUPAC name of 8-aminoquinoline-2-carboxylic acid (CID 917054) is 8-aminoquinoline-2-carboxylic acid.
What is the SMILES notation for 8-aminoquinoline-2-carboxylic acid?
The canonical SMILES for 8-aminoquinoline-2-carboxylic acid is Nc1cccc2ccc(C(=O)O)nc12.
What is the InChIKey of 8-aminoquinoline-2-carboxylic acid?
The InChIKey is YHYCPHGLRYTKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-5H,11H2,(H,13,14).
What are the key properties of 8-aminoquinoline-2-carboxylic acid?
8-aminoquinoline-2-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminoquinoline-2-carboxylic acid is sourced from PubChem (CID 917054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).