1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one

C17H19FN2O — CID 81116316

IUPAC1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2Cc1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c1-19-15-6-3-7-16-14(15)8-9-17(21)20(16)11-12-4-2-5-13(18)10-12/h2,4-5,8-10,15,19H,3,6-7,11H2,1H3
InChIKeyILJSMOLULPOQII-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.63
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one

1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81116316) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81116316
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2Cc1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c1-19-15-6-3-7-16-14(15)8-9-17(21)20(16)11-12-4-2-5-13(18)10-12/h2,4-5,8-10,15,19H,3,6-7,11H2,1H3
InChIKeyILJSMOLULPOQII-UHFFFAOYSA-N
XLogP2.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 81116316) is 1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one is CNC1CCCc2c1ccc(=O)n2Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is ILJSMOLULPOQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-19-15-6-3-7-16-14(15)8-9-17(21)20(16)11-12-4-2-5-13(18)10-12/h2,4-5,8-10,15,19H,3,6-7,11H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 286.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81116316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).