2-aminoquinoline-5,6-diol

C9H8N2O2 — CID 137224680

IUPAC2-aminoquinoline-5,6-diol
SMILESNc1ccc2c(O)c(O)ccc2n1
InChIInChI=1S/C9H8N2O2/c10-8-4-1-5-6(11-8)2-3-7(12)9(5)13/h1-4,12-13H,(H2,10,11)
InChIKeyWXTXKUWETFMBPO-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.23
Rot. Bonds

About 2-aminoquinoline-5,6-diol

2-aminoquinoline-5,6-diol (PubChem CID 137224680) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-aminoquinoline-5,6-diol.

Molecular Properties

Compound Name2-aminoquinoline-5,6-diol
PubChem CID137224680
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-aminoquinoline-5,6-diol
SMILESNc1ccc2c(O)c(O)ccc2n1
InChIInChI=1S/C9H8N2O2/c10-8-4-1-5-6(11-8)2-3-7(12)9(5)13/h1-4,12-13H,(H2,10,11)
InChIKeyWXTXKUWETFMBPO-UHFFFAOYSA-N
XLogP1.23
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2-aminoquinolin-5-yl)-dideuteriomethanol
CID 118689161
6-amino-2-(aminomethyl)pyridin-3-ol
CID 89291321
2-chloro-5-fluoroquinolin-6-ol
CID 86698075
5-ethylquinolin-2-amine
CID 59551845
6-amino-2-ethenylpyridin-3-ol
CID 74891668
5-N-methylquinoline-2,5-diamine
CID 59551884
phthalazine-5,6-diol
CID 137192823
quinoline-2,6-diamine
CID 22018948
2-amino-5,7-dimethylquinolin-8-ol;ethane
CID 145281381
2-amino-N,N-dimethylquinoline-5-carboxamide
CID 118658010
1,7-phenanthrolin-8-amine;2,4,6-trinitrophenol
CID 23723893
(2R)-2-amino-3-(2-aminoquinolin-5-yl)propanoic acid
CID 177277795

Frequently Asked Questions

What is the IUPAC name of 2-aminoquinoline-5,6-diol?
The IUPAC name of 2-aminoquinoline-5,6-diol (CID 137224680) is 2-aminoquinoline-5,6-diol.
What is the SMILES notation for 2-aminoquinoline-5,6-diol?
The canonical SMILES for 2-aminoquinoline-5,6-diol is Nc1ccc2c(O)c(O)ccc2n1.
What is the InChIKey of 2-aminoquinoline-5,6-diol?
The InChIKey is WXTXKUWETFMBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-8-4-1-5-6(11-8)2-3-7(12)9(5)13/h1-4,12-13H,(H2,10,11).
What are the key properties of 2-aminoquinoline-5,6-diol?
2-aminoquinoline-5,6-diol has a molecular weight of 176.17 g/mol, XLogP of 1.23, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoquinoline-5,6-diol is sourced from PubChem (CID 137224680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).