2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline

C15H15ClF3NO — CID 63531533

IUPAC2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline
SMILESCCCOc1ccc(C(F)(F)F)c2cc(CC)c(Cl)nc12
InChIInChI=1S/C15H15ClF3NO/c1-3-7-21-12-6-5-11(15(17,18)19)10-8-9(4-2)14(16)20-13(10)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyXGGMHWHSEOOGLQ-UHFFFAOYSA-N
MW317.74 g/mol
LogP5.26
Rot. Bonds4

About 2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline

2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline (PubChem CID 63531533) has the molecular formula C15H15ClF3NO and a molecular weight of 317.74 g/mol. Its IUPAC name is 2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline
PubChem CID63531533
Molecular FormulaC15H15ClF3NO
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline
SMILESCCCOc1ccc(C(F)(F)F)c2cc(CC)c(Cl)nc12
InChIInChI=1S/C15H15ClF3NO/c1-3-7-21-12-6-5-11(15(17,18)19)10-8-9(4-2)14(16)20-13(10)12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyXGGMHWHSEOOGLQ-UHFFFAOYSA-N
XLogP5.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.74
LogP ≤ 55.26
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-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline?
The IUPAC name of 2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline (CID 63531533) is 2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline?
The canonical SMILES for 2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline is CCCOc1ccc(C(F)(F)F)c2cc(CC)c(Cl)nc12.
What is the InChIKey of 2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline?
The InChIKey is XGGMHWHSEOOGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3NO/c1-3-7-21-12-6-5-11(15(17,18)19)10-8-9(4-2)14(16)20-13(10)12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline?
2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline has a molecular weight of 317.74 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-8-propoxy-5-(trifluoromethyl)quinoline is sourced from PubChem (CID 63531533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).