8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine

C16H23FN4 — CID 83163867

IUPAC8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
SMILESCCN(CC)CCCNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H23FN4/c1-3-21(4-2)10-6-9-20-16-13(17)11-14(18)12-7-5-8-19-15(12)16/h5,7-8,11,20H,3-4,6,9-10,18H2,1-2H3
InChIKeyRWPUGZHOQIGJRS-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.10
Rot. Bonds7

About 8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine

8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine (PubChem CID 83163867) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
PubChem CID83163867
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
SMILESCCN(CC)CCCNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C16H23FN4/c1-3-21(4-2)10-6-9-20-16-13(17)11-14(18)12-7-5-8-19-15(12)16/h5,7-8,11,20H,3-4,6,9-10,18H2,1-2H3
InChIKeyRWPUGZHOQIGJRS-UHFFFAOYSA-N
XLogP3.10
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine
CID 83164454
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
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-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine
CID 83164452
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol
CID 83165509
7-fluoro-8-N-[(1-methylcyclopentyl)methyl]quinoline-5,8-diamine
CID 83165841
N-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
CID 106022412

Frequently Asked Questions

What is the IUPAC name of 8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine (CID 83163867) is 8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine is CCN(CC)CCCNc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine?
The InChIKey is RWPUGZHOQIGJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-3-21(4-2)10-6-9-20-16-13(17)11-14(18)12-7-5-8-19-15(12)16/h5,7-8,11,20H,3-4,6,9-10,18H2,1-2H3.
What are the key properties of 8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine?
8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine has a molecular weight of 290.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 83163867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).