8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine

C17H19FN4 — CID 133376570

IUPAC8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
SMILESCc1cc(N(C)CCCn2ccnc2)c2cccc(F)c2n1
InChIInChI=1S/C17H19FN4/c1-13-11-16(14-5-3-6-15(18)17(14)20-13)21(2)8-4-9-22-10-7-19-12-22/h3,5-7,10-12H,4,8-9H2,1-2H3
InChIKeyHMZAKOXVFUPOJU-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.41
Rot. Bonds5

About 8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine

8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine (PubChem CID 133376570) has the molecular formula C17H19FN4 and a molecular weight of 298.37 g/mol. Its IUPAC name is 8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
PubChem CID133376570
Molecular FormulaC17H19FN4
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
SMILESCc1cc(N(C)CCCn2ccnc2)c2cccc(F)c2n1
InChIInChI=1S/C17H19FN4/c1-13-11-16(14-5-3-6-15(18)17(14)20-13)21(2)8-4-9-22-10-7-19-12-22/h3,5-7,10-12H,4,8-9H2,1-2H3
InChIKeyHMZAKOXVFUPOJU-UHFFFAOYSA-N
XLogP3.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584
6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine
CID 133494736
1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone
CID 133376158
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 75483099
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553
N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 61494615
2-fluoro-N-(3-imidazol-1-ylpropyl)-N-methyl-4-nitroaniline
CID 133376629
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine
CID 133376544
8-fluoro-2-methyl-N-[4-(1,2,4-triazol-4-yl)butyl]quinolin-4-amine
CID 133368296
3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine
CID 99841114
6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine
CID 133472744

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine?
The IUPAC name of 8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine (CID 133376570) is 8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine.
What is the SMILES notation for 8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine?
The canonical SMILES for 8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine is Cc1cc(N(C)CCCn2ccnc2)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine?
The InChIKey is HMZAKOXVFUPOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c1-13-11-16(14-5-3-6-15(18)17(14)20-13)21(2)8-4-9-22-10-7-19-12-22/h3,5-7,10-12H,4,8-9H2,1-2H3.
What are the key properties of 8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine?
8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine has a molecular weight of 298.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine is sourced from PubChem (CID 133376570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).