7-amino-5-chloroquinolin-8-ol;hydrochloride

C9H8Cl2N2O — CID 3056874

IUPAC7-amino-5-chloroquinolin-8-ol;hydrochloride
SMILESCl.Nc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C9H7ClN2O.ClH/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h1-4,13H,11H2;1H
InChIKeyZAADVFLVLJVXAE-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.60
Rot. Bonds

About 7-amino-5-chloroquinolin-8-ol;hydrochloride

7-amino-5-chloroquinolin-8-ol;hydrochloride (PubChem CID 3056874) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is 7-amino-5-chloroquinolin-8-ol;hydrochloride.

Molecular Properties

Compound Name7-amino-5-chloroquinolin-8-ol;hydrochloride
PubChem CID3056874
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name7-amino-5-chloroquinolin-8-ol;hydrochloride
SMILESCl.Nc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C9H7ClN2O.ClH/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h1-4,13H,11H2;1H
InChIKeyZAADVFLVLJVXAE-UHFFFAOYSA-N
XLogP2.60
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-chloroquinolin-8-ol;hydrochloride?
The IUPAC name of 7-amino-5-chloroquinolin-8-ol;hydrochloride (CID 3056874) is 7-amino-5-chloroquinolin-8-ol;hydrochloride.
What is the SMILES notation for 7-amino-5-chloroquinolin-8-ol;hydrochloride?
The canonical SMILES for 7-amino-5-chloroquinolin-8-ol;hydrochloride is Cl.Nc1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 7-amino-5-chloroquinolin-8-ol;hydrochloride?
The InChIKey is ZAADVFLVLJVXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O.ClH/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h1-4,13H,11H2;1H.
What are the key properties of 7-amino-5-chloroquinolin-8-ol;hydrochloride?
7-amino-5-chloroquinolin-8-ol;hydrochloride has a molecular weight of 231.08 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-chloroquinolin-8-ol;hydrochloride is sourced from PubChem (CID 3056874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).