4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline

C18H13ClFNO — CID 88973483

IUPAC4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline
SMILESC=C(OC)c1ccc2nccc(-c3cc(F)ccc3Cl)c2c1
InChIInChI=1S/C18H13ClFNO/c1-11(22-2)12-3-6-18-16(9-12)14(7-8-21-18)15-10-13(20)4-5-17(15)19/h3-10H,1H2,2H3
InChIKeySJYAJFJOEOEETD-UHFFFAOYSA-N
MW313.76 g/mol
LogP5.31
Rot. Bonds3

About 4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline

4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline (PubChem CID 88973483) has the molecular formula C18H13ClFNO and a molecular weight of 313.76 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline
PubChem CID88973483
Molecular FormulaC18H13ClFNO
Molecular Weight313.76 g/mol
Exact Mass313.07
IUPAC Name4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline
SMILESC=C(OC)c1ccc2nccc(-c3cc(F)ccc3Cl)c2c1
InChIInChI=1S/C18H13ClFNO/c1-11(22-2)12-3-6-18-16(9-12)14(7-8-21-18)15-10-13(20)4-5-17(15)19/h3-10H,1H2,2H3
InChIKeySJYAJFJOEOEETD-UHFFFAOYSA-N
XLogP5.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.76
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline (CID 88973483) is 4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline is C=C(OC)c1ccc2nccc(-c3cc(F)ccc3Cl)c2c1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline?
The InChIKey is SJYAJFJOEOEETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO/c1-11(22-2)12-3-6-18-16(9-12)14(7-8-21-18)15-10-13(20)4-5-17(15)19/h3-10H,1H2,2H3.
What are the key properties of 4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline?
4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline has a molecular weight of 313.76 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-6-(1-methoxyethenyl)quinoline is sourced from PubChem (CID 88973483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).