7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine

C14H18FN3O2 — CID 83164452

IUPAC7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine
SMILESCOCCOCCNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H18FN3O2/c1-19-7-8-20-6-5-18-14-11(15)9-12(16)10-3-2-4-17-13(10)14/h2-4,9,18H,5-8,16H2,1H3
InChIKeyQIUYUPJXRQMCGJ-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.03
Rot. Bonds7

About 7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine

7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine (PubChem CID 83164452) has the molecular formula C14H18FN3O2 and a molecular weight of 279.32 g/mol. Its IUPAC name is 7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine
PubChem CID83164452
Molecular FormulaC14H18FN3O2
Molecular Weight279.32 g/mol
Exact Mass279.14
IUPAC Name7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine
SMILESCOCCOCCNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H18FN3O2/c1-19-7-8-20-6-5-18-14-11(15)9-12(16)10-3-2-4-17-13(10)14/h2-4,9,18H,5-8,16H2,1H3
InChIKeyQIUYUPJXRQMCGJ-UHFFFAOYSA-N
XLogP2.03
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine
CID 83164289
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
ethyl 3-[(5-amino-7-fluoroquinolin-8-yl)amino]propanoate
CID 83164635
7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
CID 83166013
7-fluoro-8-N-(3-methylsulfanylpropyl)quinoline-5,8-diamine
CID 83164465
7-fluoro-8-N-(4,4,4-trifluorobutyl)quinoline-5,8-diamine
CID 83166181
8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine
CID 83164454
8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
CID 83163867
methyl 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-3-methylbutanoate
CID 83166155
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
CID 83165841
7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine
CID 83165675

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine (CID 83164452) is 7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine is COCCOCCNc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine?
The InChIKey is QIUYUPJXRQMCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-19-7-8-20-6-5-18-14-11(15)9-12(16)10-3-2-4-17-13(10)14/h2-4,9,18H,5-8,16H2,1H3.
What are the key properties of 7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine?
7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine has a molecular weight of 279.32 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine is sourced from PubChem (CID 83164452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).