7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine

C15H18FN3O — CID 83165675

IUPAC7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine
SMILESNc1cc(F)c(NCC2CCOCC2)c2ncccc12
InChIInChI=1S/C15H18FN3O/c16-12-8-13(17)11-2-1-5-18-14(11)15(12)19-9-10-3-6-20-7-4-10/h1-2,5,8,10,19H,3-4,6-7,9,17H2
InChIKeyJGVYBANMFBFWPL-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.79
Rot. Bonds3

About 7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine

7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine (PubChem CID 83165675) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine
PubChem CID83165675
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine
SMILESNc1cc(F)c(NCC2CCOCC2)c2ncccc12
InChIInChI=1S/C15H18FN3O/c16-12-8-13(17)11-2-1-5-18-14(11)15(12)19-9-10-3-6-20-7-4-10/h1-2,5,8,10,19H,3-4,6-7,9,17H2
InChIKeyJGVYBANMFBFWPL-UHFFFAOYSA-N
XLogP2.79
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(oxan-4-ylmethyl)quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine (CID 83165675) is 7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine is Nc1cc(F)c(NCC2CCOCC2)c2ncccc12.
What is the InChIKey of 7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine?
The InChIKey is JGVYBANMFBFWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-12-8-13(17)11-2-1-5-18-14(11)15(12)19-9-10-3-6-20-7-4-10/h1-2,5,8,10,19H,3-4,6-7,9,17H2.
What are the key properties of 7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine?
7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine has a molecular weight of 275.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-(oxan-4-ylmethyl)quinoline-5,8-diamine is sourced from PubChem (CID 83165675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).