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

C15H20FN3 — CID 106327998

IUPAC7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
SMILESCCC(C)(CC)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H20FN3/c1-4-15(3,5-2)19-14-11(16)9-12(17)10-7-6-8-18-13(10)14/h6-9,19H,4-5,17H2,1-3H3
InChIKeyBWGPABHCIGPUOE-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.95
Rot. Bonds4

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

7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine (PubChem CID 106327998) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
PubChem CID106327998
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine
SMILESCCC(C)(CC)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H20FN3/c1-4-15(3,5-2)19-14-11(16)9-12(17)10-7-6-8-18-13(10)14/h6-9,19H,4-5,17H2,1-3H3
InChIKeyBWGPABHCIGPUOE-UHFFFAOYSA-N
XLogP3.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine (CID 106327998) is 7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine is CCC(C)(CC)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine?
The InChIKey is BWGPABHCIGPUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-15(3,5-2)19-14-11(16)9-12(17)10-7-6-8-18-13(10)14/h6-9,19H,4-5,17H2,1-3H3.
What are the key properties of 7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine?
7-fluoro-8-N-(3-methylpentan-3-yl)quinoline-5,8-diamine has a molecular weight of 261.34 g/mol, XLogP of 3.95, 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-methylpentan-3-yl)quinoline-5,8-diamine is sourced from PubChem (CID 106327998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).