4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine

C17H17FN4 — CID 133327888

IUPAC4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
SMILESCN(C)c1cc(CNc2cccc(F)n2)c2ccccc2n1
InChIInChI=1S/C17H17FN4/c1-22(2)17-10-12(13-6-3-4-7-14(13)20-17)11-19-16-9-5-8-15(18)21-16/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyNBBMIXIQIVAYFM-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.45
Rot. Bonds4

About 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine

4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine (PubChem CID 133327888) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine.

Molecular Properties

Compound Name4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
PubChem CID133327888
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine
SMILESCN(C)c1cc(CNc2cccc(F)n2)c2ccccc2n1
InChIInChI=1S/C17H17FN4/c1-22(2)17-10-12(13-6-3-4-7-14(13)20-17)11-19-16-9-5-8-15(18)21-16/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyNBBMIXIQIVAYFM-UHFFFAOYSA-N
XLogP3.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
N-[(2,4-dimethylphenyl)methyl]-6-fluoropyridin-2-amine
CID 115591104
4-(aminomethyl)-N,N-dimethylquinolin-2-amine
CID 56828443
N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]quinolin-2-amine
CID 111478646
6-[[2-(dimethylamino)quinolin-4-yl]methylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133327923
N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
CID 102808091
4-[(3-fluoro-5-methoxy-2-nitroanilino)methyl]-N,N-dimethylquinolin-2-amine
CID 133341371
5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one
CID 133327918
4-[[2-(dimethylamino)quinolin-4-yl]methyl]benzaldehyde
CID 22282606
3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122004546
N'-(2,3-dimethylquinolin-4-yl)-N-(6-fluoro-2-pyridinyl)ethane-1,2-diamine
CID 166382360
N,N-dimethyl-4-[[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]quinolin-2-amine
CID 133327950

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine?
The IUPAC name of 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine (CID 133327888) is 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine.
What is the SMILES notation for 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine?
The canonical SMILES for 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine is CN(C)c1cc(CNc2cccc(F)n2)c2ccccc2n1.
What is the InChIKey of 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine?
The InChIKey is NBBMIXIQIVAYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-22(2)17-10-12(13-6-3-4-7-14(13)20-17)11-19-16-9-5-8-15(18)21-16/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine?
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine has a molecular weight of 296.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-fluoro-2-pyridinyl)amino]methyl]-N,N-dimethylquinolin-2-amine is sourced from PubChem (CID 133327888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).