4,6-dichloro-3-nitroquinoline

C9H4Cl2N2O2 — CID 10681670

IUPAC4,6-dichloro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C9H4Cl2N2O2/c10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15/h1-4H
InChIKeyLSMIOKSCDLKEJW-UHFFFAOYSA-N
MW243.05 g/mol
LogP3.45
Rot. Bonds1

About 4,6-dichloro-3-nitroquinoline

4,6-dichloro-3-nitroquinoline (PubChem CID 10681670) has the molecular formula C9H4Cl2N2O2 and a molecular weight of 243.05 g/mol. Its IUPAC name is 4,6-dichloro-3-nitroquinoline.

Molecular Properties

Compound Name4,6-dichloro-3-nitroquinoline
PubChem CID10681670
Molecular FormulaC9H4Cl2N2O2
Molecular Weight243.05 g/mol
Exact Mass241.96
IUPAC Name4,6-dichloro-3-nitroquinoline
SMILESO=[N+]([O-])c1cnc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C9H4Cl2N2O2/c10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15/h1-4H
InChIKeyLSMIOKSCDLKEJW-UHFFFAOYSA-N
XLogP3.45
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,6-dichloro-3-nitroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-nitroquinoline?
The IUPAC name of 4,6-dichloro-3-nitroquinoline (CID 10681670) is 4,6-dichloro-3-nitroquinoline.
What is the SMILES notation for 4,6-dichloro-3-nitroquinoline?
The canonical SMILES for 4,6-dichloro-3-nitroquinoline is O=[N+]([O-])c1cnc2ccc(Cl)cc2c1Cl.
What is the InChIKey of 4,6-dichloro-3-nitroquinoline?
The InChIKey is LSMIOKSCDLKEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2O2/c10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15/h1-4H.
What are the key properties of 4,6-dichloro-3-nitroquinoline?
4,6-dichloro-3-nitroquinoline has a molecular weight of 243.05 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-nitroquinoline is sourced from PubChem (CID 10681670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).