1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one

C16H16FN3O — CID 63888859

IUPAC1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one
SMILESNCc1cc(CN2C(=O)CCc3ccc(F)cc32)ccn1
InChIInChI=1S/C16H16FN3O/c17-13-3-1-12-2-4-16(21)20(15(12)8-13)10-11-5-6-19-14(7-11)9-18/h1,3,5-8H,2,4,9-10,18H2
InChIKeyIYUKJLFJQGFPHG-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.16
Rot. Bonds3

About 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one

1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 63888859) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one
PubChem CID63888859
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one
SMILESNCc1cc(CN2C(=O)CCc3ccc(F)cc32)ccn1
InChIInChI=1S/C16H16FN3O/c17-13-3-1-12-2-4-16(21)20(15(12)8-13)10-11-5-6-19-14(7-11)9-18/h1,3,5-8H,2,4,9-10,18H2
InChIKeyIYUKJLFJQGFPHG-UHFFFAOYSA-N
XLogP2.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one (CID 63888859) is 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one is NCc1cc(CN2C(=O)CCc3ccc(F)cc32)ccn1.
What is the InChIKey of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is IYUKJLFJQGFPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-13-3-1-12-2-4-16(21)20(15(12)8-13)10-11-5-6-19-14(7-11)9-18/h1,3,5-8H,2,4,9-10,18H2.
What are the key properties of 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one?
1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-4-pyridinyl]methyl]-7-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63888859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).