3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one

C22H17FN2O — CID 45123270

IUPAC3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one
SMILESCn1c(=O)c(Nc2ccc(F)cc2)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C22H17FN2O/c1-25-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)21(22(25)26)24-17-13-11-16(23)12-14-17/h2-14,24H,1H3
InChIKeyCRLMIRRYYBNKII-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.09
Rot. Bonds3

About 3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one

3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one (PubChem CID 45123270) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one
PubChem CID45123270
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one
SMILESCn1c(=O)c(Nc2ccc(F)cc2)c(-c2ccccc2)c2ccccc21
InChIInChI=1S/C22H17FN2O/c1-25-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)21(22(25)26)24-17-13-11-16(23)12-14-17/h2-14,24H,1H3
InChIKeyCRLMIRRYYBNKII-UHFFFAOYSA-N
XLogP5.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one?
The IUPAC name of 3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one (CID 45123270) is 3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one.
What is the SMILES notation for 3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one?
The canonical SMILES for 3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one is Cn1c(=O)c(Nc2ccc(F)cc2)c(-c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one?
The InChIKey is CRLMIRRYYBNKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O/c1-25-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)21(22(25)26)24-17-13-11-16(23)12-14-17/h2-14,24H,1H3.
What are the key properties of 3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one?
3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one has a molecular weight of 344.39 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one is sourced from PubChem (CID 45123270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).