6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one

C16H16FN3O — CID 89440497

IUPAC6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(-c1cncc(CN)c1)c2F
InChIInChI=1S/C16H16FN3O/c1-20-14-4-2-12(11-6-10(7-18)8-19-9-11)16(17)13(14)3-5-15(20)21/h2,4,6,8-9H,3,5,7,18H2,1H3
InChIKeyIIBPXLFXPRPLAB-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.26
Rot. Bonds2

About 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one

6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 89440497) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID89440497
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2c1ccc(-c1cncc(CN)c1)c2F
InChIInChI=1S/C16H16FN3O/c1-20-14-4-2-12(11-6-10(7-18)8-19-9-11)16(17)13(14)3-5-15(20)21/h2,4,6,8-9H,3,5,7,18H2,1H3
InChIKeyIIBPXLFXPRPLAB-UHFFFAOYSA-N
XLogP2.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 146216604
4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one
CID 66794064
6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one
CID 89440799
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide
CID 90276968
[5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine
CID 71301575
6-[5-[(2-fluoro-6-oxo-1-pyridinyl)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86297487
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
[5-[2-methyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
CID 102755639
1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297103
6-[1-(2-aminoethyl)-3,4-dihydro-2H-1,7-naphthyridin-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 71536486
[5-(5-fluoro-3-pyridinyl)-3-pyridinyl]methanamine
CID 82506490

Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one (CID 89440497) is 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2c1ccc(-c1cncc(CN)c1)c2F.
What is the InChIKey of 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is IIBPXLFXPRPLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-20-14-4-2-12(11-6-10(7-18)8-19-9-11)16(17)13(14)3-5-15(20)21/h2,4,6,8-9H,3,5,7,18H2,1H3.
What are the key properties of 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 89440497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).