7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine

C14H18FN3 — CID 83174141

IUPAC7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
SMILESCC(C)CCNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H18FN3/c1-9(2)5-7-18-14-11(15)8-12(16)10-4-3-6-17-13(10)14/h3-4,6,8-9,18H,5,7,16H2,1-2H3
InChIKeyYSASFAZXZGSXFE-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.41
Rot. Bonds4

About 7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine

7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine (PubChem CID 83174141) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
PubChem CID83174141
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine
SMILESCC(C)CCNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C14H18FN3/c1-9(2)5-7-18-14-11(15)8-12(16)10-4-3-6-17-13(10)14/h3-4,6,8-9,18H,5,7,16H2,1-2H3
InChIKeyYSASFAZXZGSXFE-UHFFFAOYSA-N
XLogP3.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.41
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-(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-(4-methylpentan-2-yl)quinoline-5,8-diamine
CID 83164439
8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine
CID 83164454
7-fluoro-8-N-(3-methoxy-2-methylpropyl)quinoline-5,8-diamine
CID 83164289
8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
CID 83163867
7-fluoro-8-N-[2-(2-methoxyethoxy)ethyl]quinoline-5,8-diamine
CID 83164452
2-[(5-amino-7-fluoroquinolin-8-yl)amino]propan-1-ol
CID 83165824
ethyl 3-[(5-amino-7-fluoroquinolin-8-yl)amino]propanoate
CID 83164635
7-fluoro-8-N-heptan-2-ylquinoline-5,8-diamine
CID 83165831
7-fluoro-8-N-(4-methoxybutan-2-yl)quinoline-5,8-diamine
CID 83166013
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
CID 106327998

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine (CID 83174141) is 7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine is CC(C)CCNc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine?
The InChIKey is YSASFAZXZGSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-9(2)5-7-18-14-11(15)8-12(16)10-4-3-6-17-13(10)14/h3-4,6,8-9,18H,5,7,16H2,1-2H3.
What are the key properties of 7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine?
7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine has a molecular weight of 247.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-(3-methylbutyl)quinoline-5,8-diamine is sourced from PubChem (CID 83174141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).