7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine

C13H11FN4O — CID 83165170

IUPAC7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine
SMILESNc1cc(F)c(NCc2ccon2)c2ncccc12
InChIInChI=1S/C13H11FN4O/c14-10-6-11(15)9-2-1-4-16-12(9)13(10)17-7-8-3-5-19-18-8/h1-6,17H,7,15H2
InChIKeyGEMQDXPMLOQINQ-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.56
Rot. Bonds3

About 7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine

7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine (PubChem CID 83165170) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine
PubChem CID83165170
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine
SMILESNc1cc(F)c(NCc2ccon2)c2ncccc12
InChIInChI=1S/C13H11FN4O/c14-10-6-11(15)9-2-1-4-16-12(9)13(10)17-7-8-3-5-19-18-8/h1-6,17H,7,15H2
InChIKeyGEMQDXPMLOQINQ-UHFFFAOYSA-N
XLogP2.56
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine?
The IUPAC name of 7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine (CID 83165170) is 7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine?
The canonical SMILES for 7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine is Nc1cc(F)c(NCc2ccon2)c2ncccc12.
What is the InChIKey of 7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine?
The InChIKey is GEMQDXPMLOQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c14-10-6-11(15)9-2-1-4-16-12(9)13(10)17-7-8-3-5-19-18-8/h1-6,17H,7,15H2.
What are the key properties of 7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine?
7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine has a molecular weight of 258.26 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-(1,2-oxazol-3-ylmethyl)quinoline-5,8-diamine is sourced from PubChem (CID 83165170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).