7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine

C17H24FN3 — CID 106022412

IUPAC7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
SMILESCCCCC(CCC)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C17H24FN3/c1-3-5-8-12(7-4-2)21-17-14(18)11-15(19)13-9-6-10-20-16(13)17/h6,9-12,21H,3-5,7-8,19H2,1-2H3
InChIKeyUEDNUFUTYVWHQR-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.73
Rot. Bonds7

About 7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine

7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine (PubChem CID 106022412) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
PubChem CID106022412
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine
SMILESCCCCC(CCC)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C17H24FN3/c1-3-5-8-12(7-4-2)21-17-14(18)11-15(19)13-9-6-10-20-16(13)17/h6,9-12,21H,3-5,7-8,19H2,1-2H3
InChIKeyUEDNUFUTYVWHQR-UHFFFAOYSA-N
XLogP4.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
CID 83165824
7-fluoro-8-N-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 83164439
5-N-octan-4-ylquinoline-5,8-diamine
CID 106022461
7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
CID 83166013
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
CID 83174141
7-fluoro-8-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-5,8-diamine
CID 83164952
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998
3-fluoro-N-octan-4-ylpyridin-2-amine
CID 106026370
7-fluoro-8-N-[1-(furan-2-yl)propan-2-yl]quinoline-5,8-diamine
CID 83166149
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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine (CID 106022412) is 7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine is CCCCC(CCC)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine?
The InChIKey is UEDNUFUTYVWHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-3-5-8-12(7-4-2)21-17-14(18)11-15(19)13-9-6-10-20-16(13)17/h6,9-12,21H,3-5,7-8,19H2,1-2H3.
What are the key properties of 7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine?
7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine has a molecular weight of 289.40 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-octan-4-ylquinoline-5,8-diamine is sourced from PubChem (CID 106022412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).