6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine

C16H17FN4 — CID 133432083

IUPAC6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine
SMILESCc1cc(N(C)Cc2nccn2C)c2cc(F)ccc2n1
InChIInChI=1S/C16H17FN4/c1-11-8-15(13-9-12(17)4-5-14(13)19-11)21(3)10-16-18-6-7-20(16)2/h4-9H,10H2,1-3H3
InChIKeyYZEKLAIZDOSCEJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.05
Rot. Bonds3

About 6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine

6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine (PubChem CID 133432083) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine
PubChem CID133432083
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine
SMILESCc1cc(N(C)Cc2nccn2C)c2cc(F)ccc2n1
InChIInChI=1S/C16H17FN4/c1-11-8-15(13-9-12(17)4-5-14(13)19-11)21(3)10-16-18-6-7-20(16)2/h4-9H,10H2,1-3H3
InChIKeyYZEKLAIZDOSCEJ-UHFFFAOYSA-N
XLogP3.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-fluoro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 78941099
3-[(6-fluoro-2-methylquinolin-4-yl)-methylamino]propanenitrile
CID 133381669
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 81061250
6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 81243730
4-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 60664864
4-(bromomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 107083191
[6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol
CID 114219897
2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
CID 105116313
6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 107544443
3-[(6-fluoro-2-methylquinolin-4-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 133368217
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 78911727

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine?
The IUPAC name of 6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine (CID 133432083) is 6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine?
The canonical SMILES for 6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine is Cc1cc(N(C)Cc2nccn2C)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine?
The InChIKey is YZEKLAIZDOSCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-11-8-15(13-9-12(17)4-5-14(13)19-11)21(3)10-16-18-6-7-20(16)2/h4-9H,10H2,1-3H3.
What are the key properties of 6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine?
6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine has a molecular weight of 284.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 133432083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).