2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one

C19H18FNO — CID 164522218

IUPAC2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one
SMILESCc1ccccc1-c1c(F)n(C(C)C)c2ccccc2c1=O
InChIInChI=1S/C19H18FNO/c1-12(2)21-16-11-7-6-10-15(16)18(22)17(19(21)20)14-9-5-4-8-13(14)3/h4-12H,1-3H3
InChIKeyADOVMKLIEAARBA-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.70
Rot. Bonds2

About 2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one

2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one (PubChem CID 164522218) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one.

Molecular Properties

Compound Name2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one
PubChem CID164522218
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one
SMILESCc1ccccc1-c1c(F)n(C(C)C)c2ccccc2c1=O
InChIInChI=1S/C19H18FNO/c1-12(2)21-16-11-7-6-10-15(16)18(22)17(19(21)20)14-9-5-4-8-13(14)3/h4-12H,1-3H3
InChIKeyADOVMKLIEAARBA-UHFFFAOYSA-N
XLogP4.70
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.70
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-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one?
The IUPAC name of 2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one (CID 164522218) is 2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one.
What is the SMILES notation for 2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one?
The canonical SMILES for 2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one is Cc1ccccc1-c1c(F)n(C(C)C)c2ccccc2c1=O.
What is the InChIKey of 2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one?
The InChIKey is ADOVMKLIEAARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-12(2)21-16-11-7-6-10-15(16)18(22)17(19(21)20)14-9-5-4-8-13(14)3/h4-12H,1-3H3.
What are the key properties of 2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one?
2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one has a molecular weight of 295.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methylphenyl)-1-propan-2-ylquinolin-4-one is sourced from PubChem (CID 164522218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).