6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline

C21H13Cl2FN2O — CID 175921287

IUPAC6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline
SMILESCc1cc(-c2ccnc(F)c2)nc2ccc(Oc3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C21H13Cl2FN2O/c1-12-9-19(13-7-8-25-20(24)10-13)26-18-6-5-14(11-15(12)18)27-21-16(22)3-2-4-17(21)23/h2-11H,1H3
InChIKeyKKKJCJJBYMFVGI-UHFFFAOYSA-N
MW399.25 g/mol
LogP6.84
Rot. Bonds3

About 6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline

6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline (PubChem CID 175921287) has the molecular formula C21H13Cl2FN2O and a molecular weight of 399.25 g/mol. Its IUPAC name is 6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline.

Molecular Properties

Compound Name6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline
PubChem CID175921287
Molecular FormulaC21H13Cl2FN2O
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline
SMILESCc1cc(-c2ccnc(F)c2)nc2ccc(Oc3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C21H13Cl2FN2O/c1-12-9-19(13-7-8-25-20(24)10-13)26-18-6-5-14(11-15(12)18)27-21-16(22)3-2-4-17(21)23/h2-11H,1H3
InChIKeyKKKJCJJBYMFVGI-UHFFFAOYSA-N
XLogP6.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.25
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline?
The IUPAC name of 6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline (CID 175921287) is 6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline.
What is the SMILES notation for 6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline?
The canonical SMILES for 6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline is Cc1cc(-c2ccnc(F)c2)nc2ccc(Oc3c(Cl)cccc3Cl)cc12.
What is the InChIKey of 6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline?
The InChIKey is KKKJCJJBYMFVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2FN2O/c1-12-9-19(13-7-8-25-20(24)10-13)26-18-6-5-14(11-15(12)18)27-21-16(22)3-2-4-17(21)23/h2-11H,1H3.
What are the key properties of 6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline?
6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline has a molecular weight of 399.25 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenoxy)-2-(2-fluoro-4-pyridinyl)-4-methylquinoline is sourced from PubChem (CID 175921287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).