(3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone

C16H9ClFNO — CID 23362102

IUPAC(3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cc(F)nc2ccccc12
InChIInChI=1S/C16H9ClFNO/c17-11-5-3-4-10(8-11)16(20)13-9-15(18)19-14-7-2-1-6-12(13)14/h1-9H
InChIKeyVGHWNEPHLVIAEB-UHFFFAOYSA-N
MW285.71 g/mol
LogP4.26
Rot. Bonds2

About (3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone

(3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone (PubChem CID 23362102) has the molecular formula C16H9ClFNO and a molecular weight of 285.71 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone
PubChem CID23362102
Molecular FormulaC16H9ClFNO
Molecular Weight285.71 g/mol
Exact Mass285.04
IUPAC Name(3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone
SMILESO=C(c1cccc(Cl)c1)c1cc(F)nc2ccccc12
InChIInChI=1S/C16H9ClFNO/c17-11-5-3-4-10(8-11)16(20)13-9-15(18)19-14-7-2-1-6-12(13)14/h1-9H
InChIKeyVGHWNEPHLVIAEB-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 54.26
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 (3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone (CID 23362102) is (3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone is O=C(c1cccc(Cl)c1)c1cc(F)nc2ccccc12.
What is the InChIKey of (3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone?
The InChIKey is VGHWNEPHLVIAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO/c17-11-5-3-4-10(8-11)16(20)13-9-15(18)19-14-7-2-1-6-12(13)14/h1-9H.
What are the key properties of (3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone?
(3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone has a molecular weight of 285.71 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone is sourced from PubChem (CID 23362102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).