2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline

C12H11ClFNO — CID 87401887

IUPAC2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline
SMILESCCc1cc(Cl)nc2cc(F)c(OC)cc12
InChIInChI=1S/C12H11ClFNO/c1-3-7-4-12(13)15-10-6-9(14)11(16-2)5-8(7)10/h4-6H,3H2,1-2H3
InChIKeyHRYBRINHBFNTRD-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.60
Rot. Bonds2

About 2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline

2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline (PubChem CID 87401887) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline.

Molecular Properties

Compound Name2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline
PubChem CID87401887
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline
SMILESCCc1cc(Cl)nc2cc(F)c(OC)cc12
InChIInChI=1S/C12H11ClFNO/c1-3-7-4-12(13)15-10-6-9(14)11(16-2)5-8(7)10/h4-6H,3H2,1-2H3
InChIKeyHRYBRINHBFNTRD-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline?
The IUPAC name of 2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline (CID 87401887) is 2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline.
What is the SMILES notation for 2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline?
The canonical SMILES for 2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline is CCc1cc(Cl)nc2cc(F)c(OC)cc12.
What is the InChIKey of 2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline?
The InChIKey is HRYBRINHBFNTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-3-7-4-12(13)15-10-6-9(14)11(16-2)5-8(7)10/h4-6H,3H2,1-2H3.
What are the key properties of 2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline?
2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline has a molecular weight of 239.68 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline is sourced from PubChem (CID 87401887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).