6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine

C16H16F2N4 — CID 133494736

IUPAC6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine
SMILESCN(CCCn1ccnc1)c1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C16H16F2N4/c1-21(6-2-7-22-8-5-19-11-22)15-3-4-20-16-13(15)9-12(17)10-14(16)18/h3-5,8-11H,2,6-7H2,1H3
InChIKeyVNZIOJHOKAYEMQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.24
Rot. Bonds5

About 6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine

6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine (PubChem CID 133494736) has the molecular formula C16H16F2N4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine
PubChem CID133494736
Molecular FormulaC16H16F2N4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine
SMILESCN(CCCn1ccnc1)c1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C16H16F2N4/c1-21(6-2-7-22-8-5-19-11-22)15-3-4-20-16-13(15)9-12(17)10-14(16)18/h3-5,8-11H,2,6-7H2,1H3
InChIKeyVNZIOJHOKAYEMQ-UHFFFAOYSA-N
XLogP3.24
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376570
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,4-dimethylpyrimidin-2-amine
CID 133376553
1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone
CID 133376158
N-(3-imidazol-1-ylpropyl)-N-methyl-5-nitroquinolin-8-amine
CID 133376544
N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584
3-bromo-N-(3-imidazol-1-ylpropyl)-N,5-dimethylpyridin-2-amine
CID 99841114
2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 126755730
1-[6-(2,4-difluorophenoxy)hexyl]imidazole;hydrochloride
CID 19378837
6-bromo-N-(3-imidazol-1-ylpropyl)-N-methylquinazolin-4-amine
CID 133376543
3-(2,4-difluorophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(3-imidazol-1-ylpropyl)urea
CID 42706560

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine?
The IUPAC name of 6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine (CID 133494736) is 6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine?
The canonical SMILES for 6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine is CN(CCCn1ccnc1)c1ccnc2c(F)cc(F)cc12.
What is the InChIKey of 6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine?
The InChIKey is VNZIOJHOKAYEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4/c1-21(6-2-7-22-8-5-19-11-22)15-3-4-20-16-13(15)9-12(17)10-14(16)18/h3-5,8-11H,2,6-7H2,1H3.
What are the key properties of 6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine?
6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine has a molecular weight of 302.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-N-(3-imidazol-1-ylpropyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 133494736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).