8-aminoquinoline-5-carboxylate

C10H7N2O2- — CID 131744145

IUPAC8-aminoquinoline-5-carboxylate
SMILESNc1ccc(C(=O)[O-])c2cccnc12
InChIInChI=1S/C10H8N2O2/c11-8-4-3-7(10(13)14)6-2-1-5-12-9(6)8/h1-5H,11H2,(H,13,14)/p-1
InChIKeyUOFVSVFITPSQBG-UHFFFAOYSA-M
MW187.18 g/mol
LogP0.18
Rot. Bonds1

About 8-aminoquinoline-5-carboxylate

8-aminoquinoline-5-carboxylate (PubChem CID 131744145) has the molecular formula C10H7N2O2- and a molecular weight of 187.18 g/mol. Its IUPAC name is 8-aminoquinoline-5-carboxylate.

Molecular Properties

Compound Name8-aminoquinoline-5-carboxylate
PubChem CID131744145
Molecular FormulaC10H7N2O2-
Molecular Weight187.18 g/mol
Exact Mass187.05
IUPAC Name8-aminoquinoline-5-carboxylate
SMILESNc1ccc(C(=O)[O-])c2cccnc12
InChIInChI=1S/C10H8N2O2/c11-8-4-3-7(10(13)14)6-2-1-5-12-9(6)8/h1-5H,11H2,(H,13,14)/p-1
InChIKeyUOFVSVFITPSQBG-UHFFFAOYSA-M
XLogP0.18
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(8-aminoquinoline-5-carbonyl)-methylamino]propanoic acid
CID 142312021
2-aminopyridine-3-carboxylate
CID 4116530
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
dipotassium;naphthalene-1,4-dicarboxylate
CID 101297429
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
5-methylsulfinylquinolin-8-amine
CID 164876860
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
CID 71344750
2-(8-aminoquinolin-5-yl)oxy-N-carbamoylpropanamide
CID 116524840
nickel(2+);tris(1,10-phenanthroline);bis(2,4,5-tricarboxybenzoate);hydrate
CID 139082419

Frequently Asked Questions

What is the IUPAC name of 8-aminoquinoline-5-carboxylate?
The IUPAC name of 8-aminoquinoline-5-carboxylate (CID 131744145) is 8-aminoquinoline-5-carboxylate.
What is the SMILES notation for 8-aminoquinoline-5-carboxylate?
The canonical SMILES for 8-aminoquinoline-5-carboxylate is Nc1ccc(C(=O)[O-])c2cccnc12.
What is the InChIKey of 8-aminoquinoline-5-carboxylate?
The InChIKey is UOFVSVFITPSQBG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8N2O2/c11-8-4-3-7(10(13)14)6-2-1-5-12-9(6)8/h1-5H,11H2,(H,13,14)/p-1.
What are the key properties of 8-aminoquinoline-5-carboxylate?
8-aminoquinoline-5-carboxylate has a molecular weight of 187.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminoquinoline-5-carboxylate is sourced from PubChem (CID 131744145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).