1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one

C16H15FN2O — CID 64769062

IUPAC1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESNc1ccc(CN2C(=O)CCc3ccccc32)c(F)c1
InChIInChI=1S/C16H15FN2O/c17-14-9-13(18)7-5-12(14)10-19-15-4-2-1-3-11(15)6-8-16(19)20/h1-5,7,9H,6,8,10,18H2
InChIKeyYZUUFSWKIISAKI-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.89
Rot. Bonds2

About 1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one

1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 64769062) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID64769062
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESNc1ccc(CN2C(=O)CCc3ccccc32)c(F)c1
InChIInChI=1S/C16H15FN2O/c17-14-9-13(18)7-5-12(14)10-19-15-4-2-1-3-11(15)6-8-16(19)20/h1-5,7,9H,6,8,10,18H2
InChIKeyYZUUFSWKIISAKI-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one (CID 64769062) is 1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one is Nc1ccc(CN2C(=O)CCc3ccccc32)c(F)c1.
What is the InChIKey of 1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is YZUUFSWKIISAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-9-13(18)7-5-12(14)10-19-15-4-2-1-3-11(15)6-8-16(19)20/h1-5,7,9H,6,8,10,18H2.
What are the key properties of 1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one?
1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-fluorophenyl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 64769062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).