(4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone

C23H15ClFNO2 — CID 164678243

IUPAC(4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone
SMILESCOc1ccc2nc(C(=O)c3ccc(Cl)cc3)cc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C23H15ClFNO2/c1-28-18-9-10-21-20(12-18)19(15-3-2-4-17(25)11-15)13-22(26-21)23(27)14-5-7-16(24)8-6-14/h2-13H,1H3
InChIKeyCAQBNFICWIFYKW-UHFFFAOYSA-N
MW391.83 g/mol
LogP5.93
Rot. Bonds4

About (4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone

(4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone (PubChem CID 164678243) has the molecular formula C23H15ClFNO2 and a molecular weight of 391.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone
PubChem CID164678243
Molecular FormulaC23H15ClFNO2
Molecular Weight391.83 g/mol
Exact Mass391.08
IUPAC Name(4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone
SMILESCOc1ccc2nc(C(=O)c3ccc(Cl)cc3)cc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C23H15ClFNO2/c1-28-18-9-10-21-20(12-18)19(15-3-2-4-17(25)11-15)13-22(26-21)23(27)14-5-7-16(24)8-6-14/h2-13H,1H3
InChIKeyCAQBNFICWIFYKW-UHFFFAOYSA-N
XLogP5.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.83
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone (CID 164678243) is (4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone is COc1ccc2nc(C(=O)c3ccc(Cl)cc3)cc(-c3cccc(F)c3)c2c1.
What is the InChIKey of (4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone?
The InChIKey is CAQBNFICWIFYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFNO2/c1-28-18-9-10-21-20(12-18)19(15-3-2-4-17(25)11-15)13-22(26-21)23(27)14-5-7-16(24)8-6-14/h2-13H,1H3.
What are the key properties of (4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone?
(4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone has a molecular weight of 391.83 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(3-fluorophenyl)-6-methoxyquinolin-2-yl]methanone is sourced from PubChem (CID 164678243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).