5-aminoquinoline-6-carboxylic acid

C10H8N2O2 — CID 13221190

IUPAC5-aminoquinoline-6-carboxylic acid
SMILESNc1c(C(=O)O)ccc2ncccc12
InChIInChI=1S/C10H8N2O2/c11-9-6-2-1-5-12-8(6)4-3-7(9)10(13)14/h1-5H,11H2,(H,13,14)
InChIKeyIUSQIFIDQPWBAJ-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.52
Rot. Bonds1

About 5-aminoquinoline-6-carboxylic acid

5-aminoquinoline-6-carboxylic acid (PubChem CID 13221190) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-aminoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name5-aminoquinoline-6-carboxylic acid
PubChem CID13221190
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name5-aminoquinoline-6-carboxylic acid
SMILESNc1c(C(=O)O)ccc2ncccc12
InChIInChI=1S/C10H8N2O2/c11-9-6-2-1-5-12-8(6)4-3-7(9)10(13)14/h1-5H,11H2,(H,13,14)
InChIKeyIUSQIFIDQPWBAJ-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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Related Compounds

(5-aminoquinolin-6-yl) hydrogen carbonate
CID 70482347
(NE)-N-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine
CID 11805473
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
5-amino-1,6-naphthyridine-8-carboxylic acid
CID 73425151
6-aminoquinoline-4-carboxylic acid;dihydrochloride
CID 171397441
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
4-chloro-2-quinolin-5-ylbenzoic acid
CID 107989819
2-acetyl-1,7-phenanthroline-4-carboxylic acid
CID 175126800
6-benzylquinolin-5-amine
CID 15441702
(3R)-1-(5-aminoquinolin-6-yl)-3-(methylamino)butan-2-one
CID 58427085
5-amino-3-prop-2-enylquinoline-6-carboxylic acid
CID 67934082
4-amino-6-bromoquinoline-3-carboxylic acid
CID 46397798

Frequently Asked Questions

What is the IUPAC name of 5-aminoquinoline-6-carboxylic acid?
The IUPAC name of 5-aminoquinoline-6-carboxylic acid (CID 13221190) is 5-aminoquinoline-6-carboxylic acid.
What is the SMILES notation for 5-aminoquinoline-6-carboxylic acid?
The canonical SMILES for 5-aminoquinoline-6-carboxylic acid is Nc1c(C(=O)O)ccc2ncccc12.
What is the InChIKey of 5-aminoquinoline-6-carboxylic acid?
The InChIKey is IUSQIFIDQPWBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-9-6-2-1-5-12-8(6)4-3-7(9)10(13)14/h1-5H,11H2,(H,13,14).
What are the key properties of 5-aminoquinoline-6-carboxylic acid?
5-aminoquinoline-6-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 5-aminoquinoline-6-carboxylic acid is sourced from PubChem (CID 13221190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).