4-aminoquinoline-3-carboxylic acid

C10H8N2O2 — CID 11651286

IUPAC4-aminoquinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C10H8N2O2/c11-9-6-3-1-2-4-8(6)12-5-7(9)10(13)14/h1-5H,(H2,11,12)(H,13,14)
InChIKeyUEFKMJWKPVAVND-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.52
Rot. Bonds1

About 4-aminoquinoline-3-carboxylic acid

4-aminoquinoline-3-carboxylic acid (PubChem CID 11651286) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-aminoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-aminoquinoline-3-carboxylic acid
PubChem CID11651286
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-aminoquinoline-3-carboxylic acid
SMILESNc1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C10H8N2O2/c11-9-6-3-1-2-4-8(6)12-5-7(9)10(13)14/h1-5H,(H2,11,12)(H,13,14)
InChIKeyUEFKMJWKPVAVND-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

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Frequently Asked Questions

What is the IUPAC name of 4-aminoquinoline-3-carboxylic acid?
The IUPAC name of 4-aminoquinoline-3-carboxylic acid (CID 11651286) is 4-aminoquinoline-3-carboxylic acid.
What is the SMILES notation for 4-aminoquinoline-3-carboxylic acid?
The canonical SMILES for 4-aminoquinoline-3-carboxylic acid is Nc1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-aminoquinoline-3-carboxylic acid?
The InChIKey is UEFKMJWKPVAVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-9-6-3-1-2-4-8(6)12-5-7(9)10(13)14/h1-5H,(H2,11,12)(H,13,14).
What are the key properties of 4-aminoquinoline-3-carboxylic acid?
4-aminoquinoline-3-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 4-aminoquinoline-3-carboxylic acid is sourced from PubChem (CID 11651286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).