4,5-dichloroquinolin-8-amine

C9H6Cl2N2 — CID 19592780

IUPAC4,5-dichloroquinolin-8-amine
SMILESNc1ccc(Cl)c2c(Cl)ccnc12
InChIInChI=1S/C9H6Cl2N2/c10-5-1-2-7(12)9-8(5)6(11)3-4-13-9/h1-4H,12H2
InChIKeyQUQNYAHCMBLQNN-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.12
Rot. Bonds

About 4,5-dichloroquinolin-8-amine

4,5-dichloroquinolin-8-amine (PubChem CID 19592780) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 4,5-dichloroquinolin-8-amine.

Molecular Properties

Compound Name4,5-dichloroquinolin-8-amine
PubChem CID19592780
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name4,5-dichloroquinolin-8-amine
SMILESNc1ccc(Cl)c2c(Cl)ccnc12
InChIInChI=1S/C9H6Cl2N2/c10-5-1-2-7(12)9-8(5)6(11)3-4-13-9/h1-4H,12H2
InChIKeyQUQNYAHCMBLQNN-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloroquinolin-8-amine?
The IUPAC name of 4,5-dichloroquinolin-8-amine (CID 19592780) is 4,5-dichloroquinolin-8-amine.
What is the SMILES notation for 4,5-dichloroquinolin-8-amine?
The canonical SMILES for 4,5-dichloroquinolin-8-amine is Nc1ccc(Cl)c2c(Cl)ccnc12.
What is the InChIKey of 4,5-dichloroquinolin-8-amine?
The InChIKey is QUQNYAHCMBLQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-5-1-2-7(12)9-8(5)6(11)3-4-13-9/h1-4H,12H2.
What are the key properties of 4,5-dichloroquinolin-8-amine?
4,5-dichloroquinolin-8-amine has a molecular weight of 213.07 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloroquinolin-8-amine is sourced from PubChem (CID 19592780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).