4,5,7,8-tetrachloro-3-methylquinoline

C10H5Cl4N — CID 171373423

IUPAC4,5,7,8-tetrachloro-3-methylquinoline
SMILESCc1cnc2c(Cl)c(Cl)cc(Cl)c2c1Cl
InChIInChI=1S/C10H5Cl4N/c1-4-3-15-10-7(8(4)13)5(11)2-6(12)9(10)14/h2-3H,1H3
InChIKeyZDQOJHYZIZNHED-UHFFFAOYSA-N
MW280.97 g/mol
LogP5.16
Rot. Bonds

About 4,5,7,8-tetrachloro-3-methylquinoline

4,5,7,8-tetrachloro-3-methylquinoline (PubChem CID 171373423) has the molecular formula C10H5Cl4N and a molecular weight of 280.97 g/mol. Its IUPAC name is 4,5,7,8-tetrachloro-3-methylquinoline.

Molecular Properties

Compound Name4,5,7,8-tetrachloro-3-methylquinoline
PubChem CID171373423
Molecular FormulaC10H5Cl4N
Molecular Weight280.97 g/mol
Exact Mass278.92
IUPAC Name4,5,7,8-tetrachloro-3-methylquinoline
SMILESCc1cnc2c(Cl)c(Cl)cc(Cl)c2c1Cl
InChIInChI=1S/C10H5Cl4N/c1-4-3-15-10-7(8(4)13)5(11)2-6(12)9(10)14/h2-3H,1H3
InChIKeyZDQOJHYZIZNHED-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.97
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,7,8-tetrachloro-3-methylquinoline?
The IUPAC name of 4,5,7,8-tetrachloro-3-methylquinoline (CID 171373423) is 4,5,7,8-tetrachloro-3-methylquinoline.
What is the SMILES notation for 4,5,7,8-tetrachloro-3-methylquinoline?
The canonical SMILES for 4,5,7,8-tetrachloro-3-methylquinoline is Cc1cnc2c(Cl)c(Cl)cc(Cl)c2c1Cl.
What is the InChIKey of 4,5,7,8-tetrachloro-3-methylquinoline?
The InChIKey is ZDQOJHYZIZNHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl4N/c1-4-3-15-10-7(8(4)13)5(11)2-6(12)9(10)14/h2-3H,1H3.
What are the key properties of 4,5,7,8-tetrachloro-3-methylquinoline?
4,5,7,8-tetrachloro-3-methylquinoline has a molecular weight of 280.97 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7,8-tetrachloro-3-methylquinoline is sourced from PubChem (CID 171373423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).