1-(4-amino-3-fluorophenyl)quinolin-2-one

C15H11FN2O — CID 12000515

IUPAC1-(4-amino-3-fluorophenyl)quinolin-2-one
SMILESNc1ccc(-n2c(=O)ccc3ccccc32)cc1F
InChIInChI=1S/C15H11FN2O/c16-12-9-11(6-7-13(12)17)18-14-4-2-1-3-10(14)5-8-15(18)19/h1-9H,17H2
InChIKeyJXPSABJIHWNMBU-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.71
Rot. Bonds1

About 1-(4-amino-3-fluorophenyl)quinolin-2-one

1-(4-amino-3-fluorophenyl)quinolin-2-one (PubChem CID 12000515) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(4-amino-3-fluorophenyl)quinolin-2-one.

Molecular Properties

Compound Name1-(4-amino-3-fluorophenyl)quinolin-2-one
PubChem CID12000515
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name1-(4-amino-3-fluorophenyl)quinolin-2-one
SMILESNc1ccc(-n2c(=O)ccc3ccccc32)cc1F
InChIInChI=1S/C15H11FN2O/c16-12-9-11(6-7-13(12)17)18-14-4-2-1-3-10(14)5-8-15(18)19/h1-9H,17H2
InChIKeyJXPSABJIHWNMBU-UHFFFAOYSA-N
XLogP2.71
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluorophenyl)quinolin-2-one?
The IUPAC name of 1-(4-amino-3-fluorophenyl)quinolin-2-one (CID 12000515) is 1-(4-amino-3-fluorophenyl)quinolin-2-one.
What is the SMILES notation for 1-(4-amino-3-fluorophenyl)quinolin-2-one?
The canonical SMILES for 1-(4-amino-3-fluorophenyl)quinolin-2-one is Nc1ccc(-n2c(=O)ccc3ccccc32)cc1F.
What is the InChIKey of 1-(4-amino-3-fluorophenyl)quinolin-2-one?
The InChIKey is JXPSABJIHWNMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-9-11(6-7-13(12)17)18-14-4-2-1-3-10(14)5-8-15(18)19/h1-9H,17H2.
What are the key properties of 1-(4-amino-3-fluorophenyl)quinolin-2-one?
1-(4-amino-3-fluorophenyl)quinolin-2-one has a molecular weight of 254.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluorophenyl)quinolin-2-one is sourced from PubChem (CID 12000515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).