3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one

C23H21FN2O — CID 59983182

IUPAC3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one
SMILESCC1(N)Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H21FN2O/c1-23(25)14-19-13-18(17-7-10-20(24)11-8-17)9-12-21(19)26(22(23)27)15-16-5-3-2-4-6-16/h2-13H,14-15,25H2,1H3
InChIKeyMSZSSHQXLZFMOK-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.30
Rot. Bonds3

About 3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one

3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one (PubChem CID 59983182) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one.

Molecular Properties

Compound Name3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one
PubChem CID59983182
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one
SMILESCC1(N)Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H21FN2O/c1-23(25)14-19-13-18(17-7-10-20(24)11-8-17)9-12-21(19)26(22(23)27)15-16-5-3-2-4-6-16/h2-13H,14-15,25H2,1H3
InChIKeyMSZSSHQXLZFMOK-UHFFFAOYSA-N
XLogP4.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one?
The IUPAC name of 3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one (CID 59983182) is 3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one.
What is the SMILES notation for 3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one?
The canonical SMILES for 3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one is CC1(N)Cc2cc(-c3ccc(F)cc3)ccc2N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one?
The InChIKey is MSZSSHQXLZFMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-23(25)14-19-13-18(17-7-10-20(24)11-8-17)9-12-21(19)26(22(23)27)15-16-5-3-2-4-6-16/h2-13H,14-15,25H2,1H3.
What are the key properties of 3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one?
3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one has a molecular weight of 360.43 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzyl-6-(4-fluorophenyl)-3-methyl-4H-quinolin-2-one is sourced from PubChem (CID 59983182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).